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Patent code US11046649

Compile Data Set for Download or QSAR
Found 149 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506733
PNG
(4-(((1R,3s,5S,6r)-6-(1-(5- chloro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(Cl)ccc2[nH]1
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n/an/a 0.630n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506769
PNG
(N-(5-cyanopyridin-2-yl)-2- ((1R,3s,5S,6r)-3-((6- f...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C25H23FN4O2/c1-2-17(25(31)30-23-6-3-14(12-27)13-29-23)24-18-10-16(11-19(18)24)32-22-7-8-28-21-5-4-15(26)9-20(21)22/h3-9,13,16-19,24H,2,10-11H2,1H3,(H,29,30,31)/t16-,17?,18-,19+,24+
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n/an/a 0.660n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506768
PNG
(N-(5-cyanopyrazin-2-yl)-2- ((1R,3s,5S,6r)-3-((6- f...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C24H22FN5O2/c1-2-16(24(31)30-22-12-28-14(10-26)11-29-22)23-17-8-15(9-18(17)23)32-21-5-6-27-20-4-3-13(25)7-19(20)21/h3-7,11-12,15-18,23H,2,8-9H2,1H3,(H,29,30,31)/t15-,16?,17-,18+,23+
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n/an/a 0.690n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506767
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccnn1C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O2/c1-2-14(22(32)30-20-6-8-29-31(20)23(25,26)27)21-15-10-13(11-16(15)21)33-19-5-7-28-18-4-3-12(24)9-17(18)19/h3-9,13-16,21H,2,10-11H2,1H3,(H,30,32)/t13-,14?,15-,16+,21+
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n/an/a 0.780n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506721
PNG
(N-(4-fluorophenyl)-2- ((1R,3s,5S,6r)-3-((6- fluoro...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H22F2N2O2/c1-13(24(29)28-16-5-2-14(25)3-6-16)23-18-11-17(12-19(18)23)30-22-8-9-27-21-7-4-15(26)10-20(21)22/h2-10,13,17-19,23H,11-12H2,1H3,(H,28,29)/t13?,17-,18-,19+,23+
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n/an/a 0.780n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506758
PNG
(4-(((1R,3s,5S,6r)-6-(1-(5- chloro-1H-benzo[d]- imi...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(Cl)ccc2[nH]1
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n/an/a 0.810n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506730
PNG
(N-(4-chlorophenyl)-2- cyclopropyl-2- ((1R,3s,5S,6r...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C26H24ClFN2O2/c27-15-3-6-17(7-4-15)30-26(31)24(14-1-2-14)25-19-12-18(13-20(19)25)32-23-9-10-29-22-8-5-16(28)11-21(22)23/h3-11,14,18-20,24-25H,1-2,12-13H2,(H,30,31)/t18-,19-,20+,24?,25+
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n/an/a 0.820n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506634
PNG
(US11046649, Ex. 12)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(ccc2[nH]1)C(F)(F)F
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n/an/a 0.850n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506736
PNG
(N-(4-chlorophenyl)-2- ((1R,3s,5S,6r)-3-((6- fluoro...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClFN2O2/c1-2-18(25(30)29-16-6-3-14(26)4-7-16)24-19-12-17(13-20(19)24)31-23-9-10-28-22-8-5-15(27)11-21(22)23/h3-11,17-20,24H,2,12-13H2,1H3,(H,29,30)/t17-,18?,19-,20+,24+
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n/an/a 0.870n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506731
PNG
(2-cyclopropyl-2- ((1R,3s,5S,6r)-3-((6- fluoroquino...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3cc([nH]n3)C(F)(F)F)c2c1
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n/an/a 0.930n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506770
PNG
(N-(1-(difluoromethyl)-1H- pyrazol-4-yl)-2- ((1R,3s...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn([H]C(F)F)c1
Show InChI InChI=1S/C23H24F3N4O2/c1-2-15(22(31)29-13-10-28-30(11-13)33-23(25)26)21-16-8-14(9-17(16)21)32-20-5-6-27-19-4-3-12(24)7-18(19)20/h3-7,10-11,14-17,21,23H,2,8-9H2,1H3,(H,29,31)/t14-,15?,16-,17+,21+
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n/an/a 0.970n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506737
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cc([nH]n1)C(F)(F)F
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n/an/a 0.980n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506766
PNG
(N-(5-chloropyridin-2-yl)-2- ((1R,3s,5S,6r)-3-((6- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H23ClFN3O2/c1-2-16(24(30)29-22-6-3-13(25)12-28-22)23-17-10-15(11-18(17)23)31-21-7-8-27-20-5-4-14(26)9-19(20)21/h3-9,12,15-18,23H,2,10-11H2,1H3,(H,28,29,30)/t15-,16?,17-,18+,23+
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n/an/a 1.15n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506693
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cc([nH]n1)C(F)(F)F
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n/an/a 1.16n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506759
PNG
(6-fluoro-4-(((1R,3s,5S,6r)- 6-(1-(5-(trifluorometh...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(ccc2[nH]1)C(F)(F)F
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n/an/a 1.20n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506660
PNG
(4-chloro-N-((R)-cyclo- propyl((1R,3s,5S,6r)-3-((6-...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4[C@H](NC(=O)c3ccc(Cl)cc3)C3CC3)c2c1
Show InChI InChI=1S/C26H24ClFN2O2/c27-16-5-3-15(4-6-16)26(31)30-25(14-1-2-14)24-19-12-18(13-20(19)24)32-23-9-10-29-22-8-7-17(28)11-21(22)23/h3-11,14,18-20,24-25H,1-2,12-13H2,(H,30,31)/t18-,19-,20+,24+,25-/m1/s1
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n/an/a 1.37n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506685
PNG
(N-(6-cyclopropylpyridin-3- yl)-2-((1R,3s,5S,6r)-3-...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nc1)C1CC1
Show InChI InChI=1S/C26H26FN3O2/c1-14(26(31)30-17-5-7-22(29-13-17)15-2-3-15)25-19-11-18(12-20(19)25)32-24-8-9-28-23-6-4-16(27)10-21(23)24/h4-10,13-15,18-20,25H,2-3,11-12H2,1H3,(H,30,31)/t14?,18-,19-,20+,25+
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n/an/a 1.40n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506742
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C24H25FN4O2/c1-3-16(24(30)29-22-12-27-13(2)11-28-22)23-17-9-15(10-18(17)23)31-21-6-7-26-20-5-4-14(25)8-19(20)21/h4-8,11-12,15-18,23H,3,9-10H2,1-2H3,(H,28,29,30)/t15-,16?,17-,18+,23+
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n/an/a 1.43n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506694
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C23H23FN4O2/c1-12-10-27-21(11-26-12)28-23(29)13(2)22-16-8-15(9-17(16)22)30-20-5-6-25-19-4-3-14(24)7-18(19)20/h3-7,10-11,13,15-17,22H,8-9H2,1-2H3,(H,27,28,29)/t13?,15-,16-,17+,22+
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n/an/a 1.51n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506738
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H22F4N4O2/c1-2-15(22(33)32-13-10-30-23(31-11-13)24(26,27)28)21-16-8-14(9-17(16)21)34-20-5-6-29-19-4-3-12(25)7-18(19)20/h3-7,10-11,14-17,21H,2,8-9H2,1H3,(H,32,33)/t14-,15?,16-,17+,21+
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n/an/a 1.51n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506745
PNG
(2-cyclopropyl-2- ((1R,3s,5S,6r)-3-((6- fluoroquino...)
Show SMILES Cc1cnc(NC(=O)C(C2CC2)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)Oc2ccnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C25H25FN4O2/c1-13-11-29-22(12-28-13)30-25(31)23(14-2-3-14)24-17-9-16(10-18(17)24)32-21-6-7-27-20-5-4-15(26)8-19(20)21/h4-8,11-12,14,16-18,23-24H,2-3,9-10H2,1H3,(H,29,30,31)/t16-,17-,18+,23?,24+
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n/an/a 1.54n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506735
PNG
(2-cyclopropyl-2- ((1R,3s,5S,6r)-3-((6- fluoroquino...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3cnc(nc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C25H22F4N4O2/c26-13-3-4-19-18(7-13)20(5-6-30-19)35-15-8-16-17(9-15)22(16)21(12-1-2-12)23(34)33-14-10-31-24(32-11-14)25(27,28)29/h3-7,10-12,15-17,21-22H,1-2,8-9H2,(H,33,34)/t15-,16-,17+,21?,22+
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n/an/a 1.56n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506739
PNG
(N-(6-cyclopropylpyridin-3- yl)-2-((1R,3s,5S,6r)-3-...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H28FN3O2/c1-2-19(27(32)31-17-6-8-23(30-14-17)15-3-4-15)26-20-12-18(13-21(20)26)33-25-9-10-29-24-7-5-16(28)11-22(24)25/h5-11,14-15,18-21,26H,2-4,12-13H2,1H3,(H,31,32)/t18-,19?,20-,21+,26+
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n/an/a 1.57n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506697
PNG
(N-(5-cyanopyrazin-2-yl)-2- ((1R,3s,5S,6r)-3-((6- f...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H20FN5O2/c1-12(23(30)29-21-11-27-14(9-25)10-28-21)22-16-7-15(8-17(16)22)31-20-4-5-26-19-3-2-13(24)6-18(19)20/h2-6,10-12,15-17,22H,7-8H2,1H3,(H,28,29,30)/t12?,15-,16-,17+,22+
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n/an/a 1.58n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506743
PNG
(N-(5-cyanopyridin-2-yl)-2- cyclopropyl-2- ((1R,3s,...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(cn3)C#N)c2c1
Show InChI InChI=1S/C26H23FN4O2/c27-16-4-5-21-20(9-16)22(7-8-29-21)33-17-10-18-19(11-17)25(18)24(15-2-3-15)26(32)31-23-6-1-14(12-28)13-30-23/h1,4-9,13,15,17-19,24-25H,2-3,10-11H2,(H,30,31,32)/t17-,18-,19+,24?,25+
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n/an/a 1.67n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506760
PNG
(4-(((1R,3s,5S,6r)-6-(1-(6- chloro-3H-imidazo[4,5- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)c1nc2cc(Cl)cnc2[nH]1
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n/an/a 1.70n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506732
PNG
(2-cyclopropyl-N-(6-cyclo- propylpyridin-3-yl)-2- (...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(nc3)C3CC3)c2c1
Show InChI InChI=1S/C28H28FN3O2/c29-17-5-7-24-22(11-17)25(9-10-30-24)34-19-12-20-21(13-19)27(20)26(16-3-4-16)28(33)32-18-6-8-23(31-14-18)15-1-2-15/h5-11,14-16,19-21,26-27H,1-4,12-13H2,(H,32,33)/t19-,20-,21+,26?,27+
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n/an/a 1.82n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506657
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11?,14-,15-,16+,21+
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n/an/a 1.92n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506680
PNG
(N-(5-cyanopyridin-2-yl)-2- ((1R,3s,5S,6r)-3-((6- f...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1cccc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C25H22FN3O2/c1-14(25(30)29-23-8-5-15(12-27)13-28-23)24-20-10-18(11-21(20)24)31-22-4-2-3-16-6-7-17(26)9-19(16)22/h2-9,13-14,18,20-21,24H,10-11H2,1H3,(H,28,29,30)/t14?,18-,20-,21+,24+
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506686
PNG
(N-(1-(difluoromethyl)-1H- pyrazol-4-yl)-2- ((1R,3s...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn([H]C(F)F)c1
Show InChI InChI=1S/C22H22F3N4O2/c1-11(21(30)28-13-9-27-29(10-13)32-22(24)25)20-15-7-14(8-16(15)20)31-19-4-5-26-18-3-2-12(23)6-17(18)19/h2-6,9-11,14-16,20,22H,7-8H2,1H3,(H,28,30)/t11?,14-,15-,16+,20+
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506747
PNG
(2-cyclopropyl-2- ((1R,3s,5S,6r)-3-((6- fluoroquino...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccn(n3)C(F)(F)F)c2c1
Show InChI InChI=1S/C24H22F4N4O2/c25-13-3-4-18-17(9-13)19(5-7-29-18)34-14-10-15-16(11-14)22(15)21(12-1-2-12)23(33)30-20-6-8-32(31-20)24(26,27)28/h3-9,12,14-16,21-22H,1-2,10-11H2,(H,30,31,33)/t14-,15-,16+,21?,22+
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n/an/a 2.02n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506658
PNG
(N-(4-cyanophenyl)-2- ((1R,3s,5S,6r)-3-(5,6- difluo...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H20F2N4O/c1-12(23(30)28-14-4-2-13(10-26)3-5-14)22-16-6-15(7-17(16)22)29-11-27-20-8-18(24)19(25)9-21(20)29/h2-5,8-9,11-12,15-17,22H,6-7H2,1H3,(H,28,30)/t12?,15-,16-,17+,22+
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n/an/a 2.10n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506750
PNG
(N-(5-cyanopyrazin-2-yl)-2- cyclopropyl-2- ((1R,3s,...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3cnc(cn3)C#N)c2c1
Show InChI InChI=1S/C25H22FN5O2/c26-14-3-4-20-19(7-14)21(5-6-28-20)33-16-8-17-18(9-16)24(17)23(13-1-2-13)25(32)31-22-12-29-15(10-27)11-30-22/h3-7,11-13,16-18,23-24H,1-2,8-9H2,(H,30,31,32)/t16-,17-,18+,23?,24+
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n/an/a 2.14n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506625
PNG
(US11046649, Ex. 3)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClFN3O2/c1-12(23(29)28-21-5-2-13(24)11-27-21)22-16-9-15(10-17(16)22)30-20-6-7-26-19-4-3-14(25)8-18(19)20/h2-8,11-12,15-17,22H,9-10H2,1H3,(H,27,28,29)/t12?,15-,16-,17+,22+
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n/an/a 2.20n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506683
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoro-8,8a-dihydro- quino...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)OC1=CC=NC2CC=C(F)C=C12)C(=O)Nc1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O2/c1-11(21(32)31-13-9-29-22(30-10-13)23(25,26)27)20-15-7-14(8-16(15)20)33-19-4-5-28-18-3-2-12(24)6-17(18)19/h2,4-6,9-11,14-16,18,20H,3,7-8H2,1H3,(H,31,32)/t11?,14-,15-,16+,18?,20+
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n/an/a 2.30n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506679
PNG
(N-(5-bromopyrazin-2-yl)-2- ((1R,3s,5S,6r)-3-(5,6- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc(Br)cn1
Show InChI InChI=1S/C20H18BrF2N5O/c1-9(20(29)27-18-7-24-17(21)6-25-18)19-11-2-10(3-12(11)19)28-8-26-15-4-13(22)14(23)5-16(15)28/h4-12,19H,2-3H2,1H3,(H,25,27,29)/t9?,10-,11-,12+,19+
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n/an/a 2.40n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506725
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O2/c1-11(21(31)29-13-9-28-30(10-13)22(24,25)26)20-15-7-14(8-16(15)20)32-19-4-5-27-18-3-2-12(23)6-17(18)19/h2-6,9-11,14-16,20H,7-8H2,1H3,(H,29,31)/t11?,14-,15-,16+,20+
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n/an/a 2.5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506644
PNG
(N-(5-chloropyridin-2-yl)-2- ((1R,3s,5S,6r)-3-(5,6-...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H19ClF2N4O/c1-10(21(29)27-19-3-2-11(22)8-25-19)20-13-4-12(5-14(13)20)28-9-26-17-6-15(23)16(24)7-18(17)28/h2-3,6-10,12-14,20H,4-5H2,1H3,(H,25,27,29)/t10?,12-,13-,14+,20+
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n/an/a 2.5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506765
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)- oxy)...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C27H25FN4O2/c1-16(27(33)31-18-14-30-32(15-18)19-5-3-2-4-6-19)26-21-12-20(13-22(21)26)34-25-9-10-29-24-8-7-17(28)11-23(24)25/h2-11,14-16,20-22,26H,12-13H2,1H3,(H,31,33)/t16?,20-,21-,22+,26+
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n/an/a 2.77n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506748
PNG
(2-cyclopropyl-N-(1- (difluoromethyl)-1H- pyrazol-4...)
Show SMILES FC(F)n1cc(NC(=O)C(C2CC2)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)Oc2ccnc3ccc(F)cc23)cn1
Show InChI InChI=1S/C24H23F3N4O2/c25-13-3-4-19-18(7-13)20(5-6-28-19)33-15-8-16-17(9-15)22(16)21(12-1-2-12)23(32)30-14-10-29-31(11-14)24(26)27/h3-7,10-12,15-17,21-22,24H,1-2,8-9H2,(H,30,32)/t15-,16-,17+,21?,22+
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n/an/a 2.85n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506709
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cc2ccccn2n1
Show InChI InChI=1S/C25H23FN4O2/c1-14(25(31)28-23-11-16-4-2-3-9-30(16)29-23)24-18-12-17(13-19(18)24)32-22-7-8-27-21-6-5-15(26)10-20(21)22/h2-11,14,17-19,24H,12-13H2,1H3,(H,28,29,31)/t14?,17-,18-,19+,24+
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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506639
PNG
(N-(5-cyanopyridin-2-yl)-2- ((1R,3s,5S,6r)-3-(5,6- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C22H19F2N5O/c1-11(22(30)28-20-3-2-12(8-25)9-26-20)21-14-4-13(5-15(14)21)29-10-27-18-6-16(23)17(24)7-19(18)29/h2-3,6-7,9-11,13-15,21H,4-5H2,1H3,(H,26,28,30)/t11?,13-,14-,15+,21+
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n/an/a 3.20n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506700
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc2[nH]ccc2c1
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n/an/a 3.30n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506648
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H20F5N3O/c1-11(22(32)30-13-4-2-12(3-5-13)23(26,27)28)21-15-6-14(7-16(15)21)31-10-29-19-8-17(24)18(25)9-20(19)31/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,30,32)/t11?,14-,15-,16+,21+
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n/an/a 3.36n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506659
PNG
(4-chloro-N-((R)-cyclo- propyl((1R,3s,5S,6r)-3- (5,...)
Show SMILES Fc1cc2ncn([C@H]3C[C@H]4[C@@H](C3)[C@@H]4[C@H](NC(=O)c3ccc(Cl)cc3)C3CC3)c2cc1F
Show InChI InChI=1S/C24H22ClF2N3O/c25-14-5-3-13(4-6-14)24(31)29-23(12-1-2-12)22-16-7-15(8-17(16)22)30-11-28-20-9-18(26)19(27)10-21(20)30/h3-6,9-12,15-17,22-23H,1-2,7-8H2,(H,29,31)/t15-,16-,17+,22+,23-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506681
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H21F4N3O2/c1-12(23(32)31-21-5-2-13(11-30-21)24(26,27)28)22-16-9-15(10-17(16)22)33-20-6-7-29-19-4-3-14(25)8-18(19)20/h2-8,11-12,15-17,22H,9-10H2,1H3,(H,30,31,32)/t12?,15-,16-,17+,22+
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n/an/a 3.70n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506724
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccn(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F4N3O2/c1-12(22(31)29-14-5-7-30(11-14)23(25,26)27)21-16-9-15(10-17(16)21)32-20-4-6-28-19-3-2-13(24)8-18(19)20/h2-8,11-12,15-17,21H,9-10H2,1H3,(H,29,31)/t12?,15-,16-,17+,21+
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n/an/a 3.70n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506744
PNG
(N-(5-chloropyridin-2-yl)-2- cyclopropyl-2- ((1R,3s...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(Cl)cn3)c2c1
Show InChI InChI=1S/C25H23ClFN3O2/c26-14-3-6-22(29-12-14)30-25(31)23(13-1-2-13)24-17-10-16(11-18(17)24)32-21-7-8-28-20-5-4-15(27)9-19(20)21/h3-9,12-13,16-18,23-24H,1-2,10-11H2,(H,29,30,31)/t16-,17-,18+,23?,24+
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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506734
PNG
(N-(5-(1H-1,2,4-triazol-1- yl)pyridin-2-yl)-2- cycl...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(cn3)-n3cncn3)c2c1
Show InChI InChI=1S/C27H25FN6O2/c28-16-3-5-22-21(9-16)23(7-8-30-22)36-18-10-19-20(11-18)26(19)25(15-1-2-15)27(35)33-24-6-4-17(12-31-24)34-14-29-13-32-34/h3-9,12-15,18-20,25-26H,1-2,10-11H2,(H,31,33,35)/t18-,19-,20+,25?,26+
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n/an/a 4.20n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506638
PNG
(N-(4-chlorophenyl)-2- ((1R,3s,5S,6r)-3-(6-cyano- 1...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ccc(cc12)C#N)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN4O/c1-13(23(29)27-16-5-3-15(24)4-6-16)22-18-9-17(10-19(18)22)28-12-26-20-7-2-14(11-25)8-21(20)28/h2-8,12-13,17-19,22H,9-10H2,1H3,(H,27,29)/t13?,17-,18-,19+,22+
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n/an/a 4.40n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506698
PNG
(N-(6-cyanopyridazin-3-yl)- 2-((1R,3s,5S,6r)-3-((6-...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nn1)C#N
Show InChI InChI=1S/C23H20FN5O2/c1-12(23(30)27-21-5-3-14(11-25)28-29-21)22-16-9-15(10-17(16)22)31-20-6-7-26-19-4-2-13(24)8-18(19)20/h2-8,12,15-17,22H,9-10H2,1H3,(H,27,29,30)/t12?,15-,16-,17+,22+
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n/an/a 4.60n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506695
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc2cc(C)[nH]c2c1
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n/an/a 4.70n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506682
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H21F4N3O2/c1-12(23(32)31-14-3-5-21(30-11-14)24(26,27)28)22-16-9-15(10-17(16)22)33-20-6-7-29-19-4-2-13(25)8-18(19)20/h2-8,11-12,15-17,22H,9-10H2,1H3,(H,31,32)/t12?,15-,16-,17+,22+
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n/an/a 4.70n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506640
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H19F5N4O/c1-10(21(32)30-19-3-2-11(8-28-19)22(25,26)27)20-13-4-12(5-14(13)20)31-9-29-17-6-15(23)16(24)7-18(17)31/h2-3,6-10,12-14,20H,4-5H2,1H3,(H,28,30,32)/t10?,12-,13-,14+,20+
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n/an/a 4.80n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506643
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H19F5N4O/c1-10(21(32)30-11-2-3-19(28-8-11)22(25,26)27)20-13-4-12(5-14(13)20)31-9-29-17-6-15(23)16(24)7-18(17)31/h2-3,6-10,12-14,20H,4-5H2,1H3,(H,30,32)/t10?,12-,13-,14+,20+
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n/an/a 5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506626
PNG
(US11046649, Ex. 4)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C21H19F3N4O/c1-10(21(29)27-19-3-2-11(22)8-25-19)20-13-4-12(5-14(13)20)28-9-26-17-6-15(23)16(24)7-18(17)28/h2-3,6-10,12-14,20H,4-5H2,1H3,(H,25,27,29)/t10?,12-,13-,14+,20+
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n/an/a 5.10n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506771
PNG
(US11046649, Ex. 149)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nn1)C#N
Show InChI InChI=1S/C24H22FN5O2/c1-2-16(24(31)28-22-6-4-14(12-26)29-30-22)23-17-10-15(11-18(17)23)32-21-7-8-27-20-5-3-13(25)9-19(20)21/h3-9,15-18,23H,2,10-11H2,1H3,(H,28,30,31)/t15-,16?,17-,18+,23+
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n/an/a 5.49n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506678
PNG
(N-(6-cyclopropylpyridin-3- yl)-2-((1R,3s,5S,6r)-3-...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(nc1)C1CC1
Show InChI InChI=1S/C24H24F2N4O/c1-12(24(31)29-14-4-5-20(27-10-14)13-2-3-13)23-16-6-15(7-17(16)23)30-11-28-21-8-18(25)19(26)9-22(21)30/h4-5,8-13,15-17,23H,2-3,6-7H2,1H3,(H,29,31)/t12?,15-,16-,17+,23+
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n/an/a 5.70n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506684
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O2/c1-11(22(32)29-20-5-4-19(30-31-20)23(25,26)27)21-14-9-13(10-15(14)21)33-18-6-7-28-17-3-2-12(24)8-16(17)18/h2-8,11,13-15,21H,9-10H2,1H3,(H,29,31,32)/t11?,13-,14-,15+,21+
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n/an/a 5.90n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506642
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES COc1ccc(NC(=O)C(C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)cn1
Show InChI InChI=1S/C22H22F2N4O2/c1-11(22(29)27-12-3-4-20(30-2)25-9-12)21-14-5-13(6-15(14)21)28-10-26-18-7-16(23)17(24)8-19(18)28/h3-4,7-11,13-15,21H,5-6H2,1-2H3,(H,27,29)/t11?,13-,14-,15+,21+
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n/an/a 6.10n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506649
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES COc1ccc(NC(=O)C(C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)nc1
Show InChI InChI=1S/C22H22F2N4O2/c1-11(22(29)27-20-4-3-13(30-2)9-25-20)21-14-5-12(6-15(14)21)28-10-26-18-7-16(23)17(24)8-19(18)28/h3-4,7-12,14-15,21H,5-6H2,1-2H3,(H,25,27,29)/t11?,12-,14-,15+,21+
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n/an/a 6.63n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506741
PNG
(N-(5-(1H-1,2,4-triazol-1- yl)pyridin-2-yl)-2- ((1R...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)-n1cncn1
Show InChI InChI=1S/C26H25FN6O2/c1-2-18(26(34)32-24-6-4-16(12-30-24)33-14-28-13-31-33)25-19-10-17(11-20(19)25)35-23-7-8-29-22-5-3-15(27)9-21(22)23/h3-9,12-14,17-20,25H,2,10-11H2,1H3,(H,30,32,34)/t17-,18?,19-,20+,25+
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n/an/a 6.90n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506718
PNG
(N-(5-(1H-1,2,4-triazol-1- yl)pyridin-2-yl)-2- ((1R...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H24FN5O2/c1-15(26(33)31-17-3-5-18(6-4-17)32-14-28-13-30-32)25-20-11-19(12-21(20)25)34-24-8-9-29-23-7-2-16(27)10-22(23)24/h2-10,13-15,19-21,25H,11-12H2,1H3,(H,31,33)/t15?,19-,20-,21+,25+
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n/an/a 7.10n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506710
PNG
(N-([1,2,4]triazolo[1,5-a]- pyridin-2-yl)-2- ((1R,3...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ccccn2n1
Show InChI InChI=1S/C24H22FN5O2/c1-13(23(31)28-24-27-21-4-2-3-9-30(21)29-24)22-16-11-15(12-17(16)22)32-20-7-8-26-19-6-5-14(25)10-18(19)20/h2-10,13,15-17,22H,11-12H2,1H3,(H,28,29,31)/t13?,15-,16-,17+,22+
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n/an/a 7.40n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506663
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H18F5N5O/c1-9(19(32)30-10-6-27-20(28-7-10)21(24,25)26)18-12-2-11(3-13(12)18)31-8-29-16-4-14(22)15(23)5-17(16)31/h4-9,11-13,18H,2-3H2,1H3,(H,30,32)/t9?,11-,12-,13+,18+
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n/an/a 7.80n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506757
PNG
(1-((1R,3s,5S,6r)-6-(1-(5- chloro-1H-benzo[d]- imid...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)c1nc2cc(Cl)ccc2[nH]1
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n/an/a 8.19n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506673
PNG
(N-(benzo[d]thiazol-2-yl)-2- ((1R,3s,5S,6r)-3-(5,6-...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C23H20F2N4OS/c1-11(22(30)28-23-27-17-4-2-3-5-20(17)31-23)21-13-6-12(7-14(13)21)29-10-26-18-8-15(24)16(25)9-19(18)29/h2-5,8-14,21H,6-7H2,1H3,(H,27,28,30)/t11?,12-,13-,14+,21+
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n/an/a 8.20n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506746
PNG
(N-(6-cyanopyridazin-3-yl)- 2-cyclopropyl-2- ((1R,3...)
Show SMILES Fc1ccc2nccc(O[C@H]3C[C@H]4[C@@H](C3)[C@@H]4C(C3CC3)C(=O)Nc3ccc(nn3)C#N)c2c1
Show InChI InChI=1S/C25H22FN5O2/c26-14-3-5-20-19(9-14)21(7-8-28-20)33-16-10-17-18(11-16)24(17)23(13-1-2-13)25(32)29-22-6-4-15(12-27)30-31-22/h3-9,13,16-18,23-24H,1-2,10-11H2,(H,29,31,32)/t16-,17-,18+,23?,24+
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n/an/a 8.41n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506641
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C)nc1
Show InChI InChI=1S/C22H22F2N4O/c1-11-3-4-13(9-25-11)27-22(29)12(2)21-15-5-14(6-16(15)21)28-10-26-19-7-17(23)18(24)8-20(19)28/h3-4,7-10,12,14-16,21H,5-6H2,1-2H3,(H,27,29)/t12?,14-,15-,16+,21+
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n/an/a 8.5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506729
PNG
(N-(1H-benzo[d]imidazol-2- yl)-2-((1R,3s,5S,6r)-3-(...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ccccc2[nH]1
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n/an/a 9.20n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506675
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C21H21F2N5O/c1-10-7-25-19(8-24-10)27-21(29)11(2)20-13-3-12(4-14(13)20)28-9-26-17-5-15(22)16(23)6-18(17)28/h5-9,11-14,20H,3-4H2,1-2H3,(H,25,27,29)/t11?,12-,13-,14+,20+
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n/an/a 10.5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506756
PNG
(5,6-Difluoro-1- ((1R,3s,5S,6r)-6-(1-(5- (trifluoro...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)c1nc2cc(ccc2[nH]1)C(F)(F)F
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n/an/a 10.6n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506651
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C22H22F2N4O/c1-11-3-4-20(25-9-11)27-22(29)12(2)21-14-5-13(6-15(14)21)28-10-26-18-7-16(23)17(24)8-19(18)28/h3-4,7-10,12-15,21H,5-6H2,1-2H3,(H,25,27,29)/t12?,13-,14-,15+,21+
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n/an/a 10.9n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506661
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(C1)(C2)c1ccc(F)cc1
Show InChI InChI=1S/C27H26F3N3O/c1-14(25(34)32-27-10-26(11-27,12-27)15-2-4-16(28)5-3-15)24-18-6-17(7-19(18)24)33-13-31-22-8-20(29)21(30)9-23(22)33/h2-5,8-9,13-14,17-19,24H,6-7,10-12H2,1H3,(H,32,34)/t14?,17-,18-,19+,24+,26?,27?
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n/an/a 12.9n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506676
PNG
(N-(6-chloropyridazin-3-yl)- 2-((1R,3s,5S,6r)-3-(5,...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(Cl)nn1
Show InChI InChI=1S/C20H18ClF2N5O/c1-9(20(29)25-18-3-2-17(21)26-27-18)19-11-4-10(5-12(11)19)28-8-24-15-6-13(22)14(23)7-16(15)28/h2-3,6-12,19H,4-5H2,1H3,(H,25,27,29)/t9?,10-,11-,12+,19+
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n/an/a 13.1n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506669
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnn(c1)C(F)F
Show InChI InChI=1S/C20H19F4N5O/c1-9(19(30)27-10-6-26-29(7-10)20(23)24)18-12-2-11(3-13(12)18)28-8-25-16-4-14(21)15(22)5-17(16)28/h4-9,11-13,18,20H,2-3H2,1H3,(H,27,30)/t9?,11-,12-,13+,18+
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n/an/a 14n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506671
PNG
(N-(benzo[d]isoxazol-6-yl)- 2-((1R,3s,5S,6r)-3-(5,6...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2cnoc2c1
Show InChI InChI=1S/C23H20F2N4O2/c1-11(23(30)28-13-3-2-12-9-27-31-21(12)4-13)22-15-5-14(6-16(15)22)29-10-26-19-7-17(24)18(25)8-20(19)29/h2-4,7-11,14-16,22H,5-6H2,1H3,(H,28,30)/t11?,14-,15-,16+,22+
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n/an/a 15.7n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506727
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccn(CC(F)(F)F)n1
Show InChI InChI=1S/C23H22F4N4O2/c1-12(22(32)29-20-5-7-31(30-20)11-23(25,26)27)21-15-9-14(10-16(15)21)33-19-4-6-28-18-3-2-13(24)8-17(18)19/h2-8,12,14-16,21H,9-11H2,1H3,(H,29,30,32)/t12?,14-,15-,16+,21+
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n/an/a 17.9n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506763
PNG
(N-(6-chloro-[1,2,4]- triazolo[1,5-a]pyridin-2-yl)-...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ccc(Cl)cn2n1
Show InChI InChI=1S/C25H23ClFN5O2/c1-2-16(24(33)30-25-29-22-6-3-13(26)12-32(22)31-25)23-17-10-15(11-18(17)23)34-21-7-8-28-20-5-4-14(27)9-19(20)21/h3-9,12,15-18,23H,2,10-11H2,1H3,(H,30,31,33)/t15-,16?,17-,18+,23+
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n/an/a 19.3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506740
PNG
(6-(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cn1)C(N)=O
Show InChI InChI=1S/C25H25FN4O3/c1-2-16(25(32)30-22-6-3-13(12-29-22)24(27)31)23-17-10-15(11-18(17)23)33-21-7-8-28-20-5-4-14(26)9-19(20)21/h3-9,12,15-18,23H,2,10-11H2,1H3,(H2,27,31)(H,29,30,32)/t15-,16?,17-,18+,23+
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n/an/a 21.3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506728
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C23H22F4N4O2/c1-12(22(32)30-14-9-29-31(10-14)11-23(25,26)27)21-16-7-15(8-17(16)21)33-20-4-5-28-19-3-2-13(24)6-18(19)20/h2-6,9-10,12,15-17,21H,7-8,11H2,1H3,(H,30,32)/t12?,15-,16-,17+,21+
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n/an/a 23.4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506674
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2cc(C)[nH]c2c1
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n/an/a 23.9n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506711
PNG
(N-([1,2,4]triazolo[1,5-a]- pyrimidin-2-yl)-2- ((1R...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2ncccn2n1
Show InChI InChI=1S/C23H21FN6O2/c1-12(21(31)27-22-28-23-26-6-2-8-30(23)29-22)20-15-10-14(11-16(15)20)32-19-5-7-25-18-4-3-13(24)9-17(18)19/h2-9,12,14-16,20H,10-11H2,1H3,(H,27,29,31)/t12?,14-,15-,16+,20+
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n/an/a 38.7n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506668
PNG
((R)-N-(5-cyano-6-methyl- pyridin-2-yl)-2- ((1R,3s,...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(C)n1
Show InChI InChI=1S/C23H21F2N5O/c1-11(23(31)29-21-4-3-13(9-26)12(2)28-21)22-15-5-14(6-16(15)22)30-10-27-19-7-17(24)18(25)8-20(19)30/h3-4,7-8,10-11,14-16,22H,5-6H2,1-2H3,(H,28,29,31)/t11?,14-,15-,16+,22+
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n/an/a 41.3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506722
PNG
(N-(3-(4-fluorophenyl)- bicyclo[1.1.1]pentan-1-yl)-...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F2N2O2/c1-16(27(34)33-29-13-28(14-29,15-29)17-2-4-18(30)5-3-17)26-21-11-20(12-22(21)26)35-25-8-9-32-24-7-6-19(31)10-23(24)25/h2-10,16,20-22,26H,11-15H2,1H3,(H,33,34)/t16?,20-,21-,22+,26+,28?,29?
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n/an/a 45.3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506723
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(CO)cn1
Show InChI InChI=1S/C24H24FN3O3/c1-13(24(30)28-22-5-2-14(12-29)11-27-22)23-17-9-16(10-18(17)23)31-21-6-7-26-20-4-3-15(25)8-19(20)21/h2-8,11,13,16-18,23,29H,9-10,12H2,1H3,(H,27,28,30)/t13?,16-,17-,18+,23+
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n/an/a 48n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506630
PNG
(US11046649, Ex. 8)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(CC#N)(C1)C2
Show InChI InChI=1S/C25H26FN3O2/c1-14(23(30)29-25-11-24(12-25,13-25)5-6-27)22-17-9-16(10-18(17)22)31-21-4-7-28-20-3-2-15(26)8-19(20)21/h2-4,7-8,14,16-18,22H,5,9-13H2,1H3,(H,29,30)/t14?,16-,17-,18+,22+,24?,25?
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n/an/a 51.3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506761
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C1COC1
Show InChI InChI=1S/C25H27FN4O3/c1-2-18(25(31)29-15-10-28-30(11-15)16-12-32-13-16)24-19-8-17(9-20(19)24)33-23-5-6-27-22-4-3-14(26)7-21(22)23/h3-7,10-11,16-20,24H,2,8-9,12-13H2,1H3,(H,29,31)/t17-,18?,19-,20+,24+
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n/an/a 51.4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506631
PNG
(US11046649, Ex. 9)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(CCO)(C1)C2
Show InChI InChI=1S/C25H29FN2O3/c1-14(23(30)28-25-11-24(12-25,13-25)5-7-29)22-17-9-16(10-18(17)22)31-21-4-6-27-20-3-2-15(26)8-19(20)21/h2-4,6,8,14,16-18,22,29H,5,7,9-13H2,1H3,(H,28,30)/t14?,16-,17-,18+,22+,24?,25?
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n/an/a 55n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506664
PNG
(N-([1,2,4]triazolo[1,5-a]- pyridin-6-yl)-2- ((1R,3...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2ncnn2c1
Show InChI InChI=1S/C22H20F2N6O/c1-11(22(31)28-12-2-3-20-25-9-27-30(20)8-12)21-14-4-13(5-15(14)21)29-10-26-18-6-16(23)17(24)7-19(18)29/h2-3,6-11,13-15,21H,4-5H2,1H3,(H,28,31)/t11?,13-,14-,15+,21+
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n/an/a 77.8n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506762
PNG
(N-(6-chloroimidazo[1,2-a]- pyridin-2-yl)-2- ((1R,3...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C26H24ClFN4O2/c1-2-17(26(33)31-23-13-32-12-14(27)3-6-24(32)30-23)25-18-10-16(11-19(18)25)34-22-7-8-29-21-5-4-15(28)9-20(21)22/h3-9,12-13,16-19,25H,2,10-11H2,1H3,(H,31,33)/t16-,17?,18-,19+,25+
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n/an/a 90n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506662
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc2nccn2c1
Show InChI InChI=1S/C23H21F2N5O/c1-12(23(31)28-13-2-3-21-26-4-5-29(21)10-13)22-15-6-14(7-16(15)22)30-11-27-19-8-17(24)18(25)9-20(19)30/h2-5,8-12,14-16,22H,6-7H2,1H3,(H,28,31)/t12?,14-,15-,16+,22+
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n/an/a 110n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506699
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc[nH]n1
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n/an/a 111n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506646
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(C1)(C2)C(F)(F)F
Show InChI InChI=1S/C22H22F5N3O/c1-10(19(31)29-21-6-20(7-21,8-21)22(25,26)27)18-12-2-11(3-13(12)18)30-9-28-16-4-14(23)15(24)5-17(16)30/h4-5,9-13,18H,2-3,6-8H2,1H3,(H,29,31)/t10?,11-,12-,13+,18+,20?,21?
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n/an/a 117n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506726
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1cnn(c1)C1CCOCC1
Show InChI InChI=1S/C26H29FN4O3/c1-15(26(32)30-17-13-29-31(14-17)18-5-8-33-9-6-18)25-20-11-19(12-21(20)25)34-24-4-7-28-23-3-2-16(27)10-22(23)24/h2-4,7,10,13-15,18-21,25H,5-6,8-9,11-12H2,1H3,(H,30,32)/t15?,19-,20-,21+,25+
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n/an/a 128n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506653
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnn(C)c1
Show InChI InChI=1S/C20H21F2N5O/c1-10(20(28)25-11-7-24-26(2)8-11)19-13-3-12(4-14(13)19)27-9-23-17-5-15(21)16(22)6-18(17)27/h5-10,12-14,19H,3-4H2,1-2H3,(H,25,28)/t10?,12-,13-,14+,19+
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n/an/a 141n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506696
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nnc([nH]1)C(F)(F)F
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n/an/a 156n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506687
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C26H25F2N5O/c1-14(26(34)31-17-5-3-15(4-6-17)16-11-30-32(2)12-16)25-19-7-18(8-20(19)25)33-13-29-23-9-21(27)22(28)10-24(23)33/h3-6,9-14,18-20,25H,7-8H2,1-2H3,(H,31,34)/t14-,18-,19-,20+,25+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506656
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C20H21F2N5O/c1-10(20(28)24-18-3-4-26(2)25-18)19-12-5-11(6-13(12)19)27-9-23-16-7-14(21)15(22)8-17(16)27/h3-4,7-13,19H,5-6H2,1-2H3,(H,24,25,28)/t10?,11-,12-,13+,19+
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n/an/a 179n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506665
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C22H25F4N3O/c1-11(21(30)28-12-2-4-22(25,26)5-3-12)20-14-6-13(7-15(14)20)29-10-27-18-8-16(23)17(24)9-19(18)29/h8-15,20H,2-7H2,1H3,(H,28,30)/t11?,13-,14-,15+,20+
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n/an/a 192n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506717
PNG
(N-(4-bromo-6-chloro- benzo[d]thiazol-2-yl)-2- ((1R...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1
Show InChI InChI=1S/C25H20BrClFN3O2S/c1-11(24(32)31-25-30-23-18(26)6-12(27)7-21(23)34-25)22-15-9-14(10-16(15)22)33-20-4-5-29-19-3-2-13(28)8-17(19)20/h2-8,11,14-16,22H,9-10H2,1H3,(H,30,31,32)/t11?,14-,15-,16+,22+
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n/an/a 231n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506692
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1nnc(C)s1
Show InChI InChI=1S/C25H23F2N5OS/c1-12(24(33)29-15-5-3-14(4-6-15)25-31-30-13(2)34-25)23-17-7-16(8-18(17)23)32-11-28-21-9-19(26)20(27)10-22(21)32/h3-6,9-12,16-18,23H,7-8H2,1-2H3,(H,29,33)/t12-,16-,17-,18+,23+/m0/s1
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n/an/a 238n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506632
PNG
(US11046649, Ex. 10)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H34FN3O4/c1-15(24(33)31-27-12-28(13-27,14-27)32-25(34)36-26(2,3)4)23-18-10-17(11-19(18)23)35-22-7-8-30-21-6-5-16(29)9-20(21)22/h5-9,15,17-19,23H,10-14H2,1-4H3,(H,31,33)(H,32,34)/t15?,17-,18-,19+,23+,27?,28?
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n/an/a 259n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506689
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(C)nc1
Show InChI InChI=1S/C28H26F2N4O/c1-15-3-4-18(13-31-15)17-5-7-19(8-6-17)33-28(35)16(2)27-21-9-20(10-22(21)27)34-14-32-25-11-23(29)24(30)12-26(25)34/h3-8,11-14,16,20-22,27H,9-10H2,1-2H3,(H,33,35)/t16-,20-,21-,22+,27+/m0/s1
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n/an/a 261n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506677
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cc(nn1C)C(F)(F)F
Show InChI InChI=1S/C21H20F5N5O/c1-9(20(32)28-18-7-17(21(24,25)26)29-30(18)2)19-11-3-10(4-12(11)19)31-8-27-15-5-13(22)14(23)6-16(15)31/h5-12,19H,3-4H2,1-2H3,(H,28,32)/t9?,10-,11-,12+,19+
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n/an/a 275n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506654
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CCC(F)(F)C1
Show InChI InChI=1S/C21H23F4N3O/c1-10(20(29)27-11-2-3-21(24,25)8-11)19-13-4-12(5-14(13)19)28-9-26-17-6-15(22)16(23)7-18(17)28/h6-7,9-14,19H,2-5,8H2,1H3,(H,27,29)/t10?,11?,12-,13-,14+,19+
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n/an/a 289n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506706
PNG
((S)-N-(4-(5-chloropyridin- 2-yl)phenyl)-2- ((1R,3R...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C27H23ClF2N4O/c1-14(27(35)33-17-5-2-15(3-6-17)23-7-4-16(28)12-31-23)26-19-8-18(9-20(19)26)34-13-32-24-10-21(29)22(30)11-25(24)34/h2-7,10-14,18-20,26H,8-9H2,1H3,(H,33,35)/t14-,18-,19-,20+,26+/m0/s1
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n/an/a 303n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506715
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H24F3N3O/c1-15(28(35)33-19-8-4-17(5-9-19)16-2-6-18(29)7-3-16)27-21-10-20(11-22(21)27)34-14-32-25-12-23(30)24(31)13-26(25)34/h2-9,12-15,20-22,27H,10-11H2,1H3,(H,33,35)/t15-,20-,21-,22+,27+/m0/s1
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n/an/a 329n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506628
PNG
(US11046649, Ex. 6)
Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)cc1
Show InChI InChI=1S/C28H26F2N4O2/c1-15(28(35)33-18-6-3-16(4-7-18)17-5-8-26(36-2)31-13-17)27-20-9-19(10-21(20)27)34-14-32-24-11-22(29)23(30)12-25(24)34/h3-8,11-15,19-21,27H,9-10H2,1-2H3,(H,33,35)/t15-,19-,20-,21+,27+/m0/s1
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n/an/a 329n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506755
PNG
(N-(3-acetamidobicyclo- [1.1.1]pentan-1-yl)-2- ((1R...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(C)=O
Show InChI InChI=1S/C25H28FN3O3/c1-13(23(31)29-25-10-24(11-25,12-25)28-14(2)30)22-17-8-16(9-18(17)22)32-21-5-6-27-20-4-3-15(26)7-19(20)21/h3-7,13,16-18,22H,8-12H2,1-2H3,(H,28,30)(H,29,31)/t13?,16-,17-,18+,22+,24?,25?
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n/an/a 420n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506637
PNG
(N-((R)-1-((1R,3S,5S,6r)-3- (5,6-difluoro-1H-benzo[...)
Show SMILES CC[C@@H](NC(=O)C12CC(F)(C1)C2)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12
Show InChI InChI=1S/C22H24F3N3O/c1-2-16(27-20(29)21-7-22(25,8-21)9-21)19-12-3-11(4-13(12)19)28-10-26-17-5-14(23)15(24)6-18(17)28/h5-6,10-13,16,19H,2-4,7-9H2,1H3,(H,27,29)/t11-,12-,13+,16-,19+,21?,22?/m1/s1
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n/an/a 426n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506629
PNG
(US11046649, Ex. 7)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(CO)(C1)C2
Show InChI InChI=1S/C24H27FN2O3/c1-13(22(29)27-24-9-23(10-24,11-24)12-28)21-16-7-15(8-17(16)21)30-20-4-5-26-19-3-2-14(25)6-18(19)20/h2-6,13,15-17,21,28H,7-12H2,1H3,(H,27,29)/t13?,15-,16-,17+,21+,23?,24?
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n/an/a 468n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506627
PNG
(US11046649, Ex. 5)
Show SMILES Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@H]4C3)c2cc1F
Show InChI InChI=1S/C22H19ClF5N3/c23-12-3-1-11(2-4-12)21(22(26,27)28)29-9-16-14-5-13(6-15(14)16)31-10-30-19-7-17(24)18(25)8-20(19)31/h1-4,7-8,10,13-16,21,29H,5-6,9H2/t13-,14-,15+,16+,21?
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n/an/a 472n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506672
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cnc2ccccn12
Show InChI InChI=1S/C23H21F2N5O/c1-12(23(31)28-21-10-26-20-4-2-3-5-29(20)21)22-14-6-13(7-15(14)22)30-11-27-18-8-16(24)17(25)9-19(18)30/h2-5,8-15,22H,6-7H2,1H3,(H,28,31)/t12?,13-,14-,15+,22+
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n/an/a 495n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506713
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES CC(C)n1cc(cn1)-c1ccc(NC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H](C[C@@H]23)n2cnc3cc(F)c(F)cc23)cc1
Show InChI InChI=1S/C28H29F2N5O/c1-15(2)35-13-18(12-32-35)17-4-6-19(7-5-17)33-28(36)16(3)27-21-8-20(9-22(21)27)34-14-31-25-10-23(29)24(30)11-26(25)34/h4-7,10-16,20-22,27H,8-9H2,1-3H3,(H,33,36)/t16-,20-,21-,22+,27+/m0/s1
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n/an/a 504n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506754
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CCO
Show InChI InChI=1S/C26H30FN3O4/c1-14(24(33)30-26-11-25(12-26,13-26)29-22(32)5-7-31)23-17-9-16(10-18(17)23)34-21-4-6-28-20-3-2-15(27)8-19(20)21/h2-4,6,8,14,16-18,23,31H,5,7,9-13H2,1H3,(H,29,32)(H,30,33)/t14?,16-,17-,18+,23+,25?,26?
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n/an/a 511n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506690
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(C)cn1
Show InChI InChI=1S/C28H26F2N4O/c1-15-3-8-24(31-13-15)17-4-6-18(7-5-17)33-28(35)16(2)27-20-9-19(10-21(20)27)34-14-32-25-11-22(29)23(30)12-26(25)34/h3-8,11-14,16,19-21,27H,9-10H2,1-2H3,(H,33,35)/t16-,19-,20-,21+,27+/m0/s1
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n/an/a 539n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506712
PNG
((S)-N-(4-(1H-imidazol-5- yl)phenyl)-2- ((1R,3R,5S,...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnc[nH]1
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n/an/a 550n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506708
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H23F5N4O/c1-14(26-19-8-18(9-20(19)26)37-13-35-23-10-21(29)22(30)11-24(23)37)27(38)36-17-5-2-15(3-6-17)16-4-7-25(34-12-16)28(31,32)33/h2-7,10-14,18-20,26H,8-9H2,1H3,(H,36,38)/t14-,18-,19-,20+,26+/m0/s1
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n/an/a 568n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506670
PNG
(N-(3-cyclopropyl-1-methyl- 1H-pyrazol-5-yl)-2- ((1...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1cc(nn1C)C1CC1
Show InChI InChI=1S/C23H25F2N5O/c1-11(23(31)27-21-9-18(12-3-4-12)28-29(21)2)22-14-5-13(6-15(14)22)30-10-26-19-7-16(24)17(25)8-20(19)30/h7-15,22H,3-6H2,1-2H3,(H,27,31)/t11?,13-,14-,15+,22+
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n/an/a 589n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506751
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CO
Show InChI InChI=1S/C25H28FN3O4/c1-13(23(32)29-25-10-24(11-25,12-25)28-21(31)9-30)22-16-7-15(8-17(16)22)33-20-4-5-27-19-3-2-14(26)6-18(19)20/h2-6,13,15-17,22,30H,7-12H2,1H3,(H,28,31)(H,29,32)/t13?,15-,16-,17+,22+,24?,25?
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n/an/a 597n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506635
PNG
(US11046649, Ex. 13)
Show SMILES CC(O)C12CC(C1)(C2)NC(=O)C(C)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12
Show InChI InChI=1S/C23H27F2N3O2/c1-11(21(30)27-23-7-22(8-23,9-23)12(2)29)20-14-3-13(4-15(14)20)28-10-26-18-5-16(24)17(25)6-19(18)28/h5-6,10-15,20,29H,3-4,7-9H2,1-2H3,(H,27,30)/t11?,12?,13-,14-,15+,20+,22?,23?
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n/an/a 626n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506752
PNG
(N-(3-(2-cyanoacetamido)- bicyclo[1.1.1]pentan-1-yl...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CC#N
Show InChI InChI=1S/C26H27FN4O3/c1-14(24(33)31-26-11-25(12-26,13-26)30-22(32)4-6-28)23-17-9-16(10-18(17)23)34-21-5-7-29-20-3-2-15(27)8-19(20)21/h2-3,5,7-8,14,16-18,23H,4,9-13H2,1H3,(H,30,32)(H,31,33)/t14?,16-,17-,18+,23+,25?,26?
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n/an/a 636n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506667
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NCCC(F)(F)F
Show InChI InChI=1S/C19H20F5N3O/c1-9(18(28)25-3-2-19(22,23)24)17-11-4-10(5-12(11)17)27-8-26-15-6-13(20)14(21)7-16(15)27/h6-12,17H,2-5H2,1H3,(H,25,28)/t9?,10-,11-,12+,17+
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n/an/a 663n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506703
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1nnc(C)o1
Show InChI InChI=1S/C25H23F2N5O2/c1-12(24(33)29-15-5-3-14(4-6-15)25-31-30-13(2)34-25)23-17-7-16(8-18(17)23)32-11-28-21-9-19(26)20(27)10-22(21)32/h3-6,9-12,16-18,23H,7-8H2,1-2H3,(H,29,33)/t12-,16-,17-,18+,23+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506753
PNG
(3,3,3-trifluoro-N-(3-(2- ((1R,3s,5S,6r)-3-((6- flu...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(C1)(C2)NC(=O)CC(F)(F)F
Show InChI InChI=1S/C26H27F4N3O3/c1-13(23(35)33-25-10-24(11-25,12-25)32-21(34)9-26(28,29)30)22-16-7-15(8-17(16)22)36-20-4-5-31-19-3-2-14(27)6-18(19)20/h2-6,13,15-17,22H,7-12H2,1H3,(H,32,34)(H,33,35)/t13?,15-,16-,17+,22+,24?,25?
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n/an/a 745n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506719
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)Nc1ccc(cc1)-c1nncn1C
Show InChI InChI=1S/C27H26FN5O2/c1-15(27(34)31-18-6-3-16(4-7-18)26-32-30-14-33(26)2)25-20-12-19(13-21(20)25)35-24-9-10-29-23-8-5-17(28)11-22(23)24/h3-11,14-15,19-21,25H,12-13H2,1-2H3,(H,31,34)/t15?,19-,20-,21+,25+
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n/an/a 818n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506705
PNG
((S)-N-(4-(5-cyanopyridin- 2-yl)phenyl)-2- ((1R,3R,...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(cn1)C#N
Show InChI InChI=1S/C28H23F2N5O/c1-15(28(36)34-18-5-3-17(4-6-18)24-7-2-16(12-31)13-32-24)27-20-8-19(9-21(20)27)35-14-33-25-10-22(29)23(30)11-26(25)35/h2-7,10-11,13-15,19-21,27H,8-9H2,1H3,(H,34,36)/t15-,19-,20-,21+,27+/m0/s1
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n/an/a 845n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506701
PNG
((S)-N-(4-(6-cyanopyridin- 3-yl)phenyl)-2- ((1R,3R,...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(nc1)C#N
Show InChI InChI=1S/C28H23F2N5O/c1-15(28(36)34-18-5-2-16(3-6-18)17-4-7-19(12-31)32-13-17)27-21-8-20(9-22(21)27)35-14-33-25-10-23(29)24(30)11-26(25)35/h2-7,10-11,13-15,20-22,27H,8-9H2,1H3,(H,34,36)/t15-,20-,21-,22+,27+/m0/s1
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n/an/a 878n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506636
PNG
(Methyl 3-(((R)-1- ((1R,3S,5S,6r)-3-(5,6- difluoro-...)
Show SMILES CC[C@@H](NC(=O)C12CC(C1)(C2)C(=O)OC)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12
Show InChI InChI=1S/C24H27F2N3O3/c1-3-17(28-21(30)23-8-24(9-23,10-23)22(31)32-2)20-13-4-12(5-14(13)20)29-11-27-18-6-15(25)16(26)7-19(18)29/h6-7,11-14,17,20H,3-5,8-10H2,1-2H3,(H,28,30)/t12-,13-,14+,17-,20+,23?,24?/m1/s1
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n/an/a 979n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506716
PNG
(US11046649, Ex. 94 | tert-butyl 4-(2- ((1R,3s,5S,6...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H36FN3O4/c1-16(26(33)31-18-8-11-32(12-9-18)27(34)36-28(2,3)4)25-20-14-19(15-21(20)25)35-24-7-10-30-23-6-5-17(29)13-22(23)24/h5-7,10,13,16,18-21,25H,8-9,11-12,14-15H2,1-4H3,(H,31,33)/t16?,19-,20-,21+,25+
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n/an/a 1.09E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506688
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnc(C)nc1
Show InChI InChI=1S/C27H25F2N5O/c1-14(27(35)33-18-5-3-16(4-6-18)17-11-30-15(2)31-12-17)26-20-7-19(8-21(20)26)34-13-32-24-9-22(28)23(29)10-25(24)34/h3-6,9-14,19-21,26H,7-8H2,1-2H3,(H,33,35)/t14-,19-,20-,21+,26+/m0/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506714
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cncn1C
Show InChI InChI=1S/C26H25F2N5O/c1-14(26(34)31-16-5-3-15(4-6-16)24-11-29-12-32(24)2)25-18-7-17(8-19(18)25)33-13-30-22-9-20(27)21(28)10-23(22)33/h3-6,9-14,17-19,25H,7-8H2,1-2H3,(H,31,34)/t14-,17-,18-,19+,25+/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506633
PNG
(US11046649, Ex. 11)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC12CC(N)(C1)C2
Show InChI InChI=1S/C23H26FN3O2/c1-12(21(28)27-23-9-22(25,10-23)11-23)20-15-7-14(8-16(15)20)29-19-4-5-26-18-3-2-13(24)6-17(18)19/h2-6,12,14-16,20H,7-11,25H2,1H3,(H,27,28)/t12?,14-,15-,16+,20+,22?,23?
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n/an/a 1.60E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506652
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CC(F)(F)C1
Show InChI InChI=1S/C20H21F4N3O/c1-9(19(28)26-10-6-20(23,24)7-10)18-12-2-11(3-13(12)18)27-8-25-16-4-14(21)15(22)5-17(16)27/h4-5,8-13,18H,2-3,6-7H2,1H3,(H,26,28)/t9?,11-,12-,13+,18+
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n/an/a 1.64E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506645
PNG
(N-(3-cyanobicyclo- [1.1.1]pentan-1-yl)-2- ((1R,3s,...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(C1)(C2)C#N
Show InChI InChI=1S/C22H22F2N4O/c1-11(20(29)27-22-6-21(7-22,8-22)9-25)19-13-2-12(3-14(13)19)28-10-26-17-4-15(23)16(24)5-18(17)28/h4-5,10-14,19H,2-3,6-8H2,1H3,(H,27,29)/t11?,12-,13-,14+,19+,21?,22?
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n/an/a 1.65E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506707
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(F)cn1
Show InChI InChI=1S/C27H23F3N4O/c1-14(27(35)33-17-5-2-15(3-6-17)23-7-4-16(28)12-31-23)26-19-8-18(9-20(19)26)34-13-32-24-10-21(29)22(30)11-25(24)34/h2-7,10-14,18-20,26H,8-9H2,1H3,(H,33,35)/t14-,18-,19-,20+,26+/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506650
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(F)(C1)C2
Show InChI InChI=1S/C21H22F3N3O/c1-10(19(28)26-21-6-20(24,7-21)8-21)18-12-2-11(3-13(12)18)27-9-25-16-4-14(22)15(23)5-17(16)27/h4-5,9-13,18H,2-3,6-8H2,1H3,(H,26,28)/t10?,11-,12-,13+,18+,20?,21?
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n/an/a 2.52E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506647
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC1CC(F)C1
Show InChI InChI=1S/C20H22F3N3O/c1-9(20(27)25-11-2-10(21)3-11)19-13-4-12(5-14(13)19)26-8-24-17-6-15(22)16(23)7-18(17)26/h6-14,19H,2-5H2,1H3,(H,25,27)/t9?,10?,11?,12-,13-,14+,19+
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n/an/a 3.42E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506691
PNG
(2-(4-(4-((S)-2- ((1R,3R,5S,6r)-3-(5,6- difluoro-1H...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1cnn(COC=O)c1
Show InChI InChI=1S/C27H25F2N5O3/c1-15(27(36)32-18-4-2-16(3-5-18)17-10-31-33(11-17)13-37-14-35)26-20-6-19(7-21(20)26)34-12-30-24-8-22(28)23(29)9-25(24)34/h2-5,8-12,14-15,19-21,26H,6-7,13H2,1H3,(H,32,36)/t15-,19-,20-,21+,26+/m0/s1
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n/an/a 5.55E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506623
PNG
(US11046649, Ex. 1)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(O)=O
Show InChI InChI=1S/C18H18FNO3/c1-9(18(21)22)17-12-7-11(8-13(12)17)23-16-4-5-20-15-3-2-10(19)6-14(15)16/h2-6,9,11-13,17H,7-8H2,1H3,(H,21,22)/t9?,11-,12-,13+,17+
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n/an/a 5.58E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506749
PNG
(2-cyclopropyl-2- ((1R,3s,5S,6r)-3-((6- fluoroquino...)
Show SMILES OC(=O)C(C1CC1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12
Show InChI InChI=1S/C20H20FNO3/c21-11-3-4-16-15(7-11)17(5-6-22-16)25-12-8-13-14(9-12)19(13)18(20(23)24)10-1-2-10/h3-7,10,12-14,18-19H,1-2,8-9H2,(H,23,24)/t12-,13-,14+,18?,19+
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n/an/a 6.31E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506666
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C18H18F5N3O/c1-8(17(27)24-6-18(21,22)23)16-10-2-9(3-11(10)16)26-7-25-14-4-12(19)13(20)5-15(14)26/h4-5,7-11,16H,2-3,6H2,1H3,(H,24,27)/t8?,9-,10-,11+,16+
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n/an/a 6.76E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506720
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(=O)NC1CCNCC1
Show InChI InChI=1S/C23H28FN3O2/c1-13(23(28)27-15-4-7-25-8-5-15)22-17-11-16(12-18(17)22)29-21-6-9-26-20-3-2-14(24)10-19(20)21/h2-3,6,9-10,13,15-18,22,25H,4-5,7-8,11-12H2,1H3,(H,27,28)/t13?,16-,17-,18+,22+
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n/an/a 7.83E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506704
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(CO)(C1)C2
Show InChI InChI=1S/C22H25F2N3O2/c1-11(20(29)26-22-6-21(7-22,8-22)9-28)19-13-2-12(3-14(13)19)27-10-25-17-4-15(23)16(24)5-18(17)27/h4-5,10-14,19,28H,2-3,6-9H2,1H3,(H,26,29)/t11?,12-,13-,14+,19+,21?,22?
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n/an/a 8.64E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506764
PNG
(2-((1R,3s,5S,6r)-3-((6- fluoroquinolin-4-yl)oxy)- ...)
Show SMILES CCC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ccnc2ccc(F)cc12)C(O)=O
Show InChI InChI=1S/C19H20FNO3/c1-2-12(19(22)23)18-13-8-11(9-14(13)18)24-17-5-6-21-16-4-3-10(20)7-15(16)17/h3-7,11-14,18H,2,8-9H2,1H3,(H,22,23)/t11-,12?,13-,14+,18+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506624
PNG
(US11046649, Ex. 2)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(O)=O
Show InChI InChI=1S/C16H16F2N2O2/c1-7(16(21)22)15-9-2-8(3-10(9)15)20-6-19-13-4-11(17)12(18)5-14(13)20/h4-10,15H,2-3H2,1H3,(H,21,22)/t7?,8-,9-,10+,15+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506690
PNG
((S)-2-((1R,3R,5S,6r)-3- (5,6-difluoro-1H-benzo[d]-...)
Show SMILES C[C@@H]([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)Nc1ccc(cc1)-c1ccc(C)cn1
Show InChI InChI=1S/C28H26F2N4O/c1-15-3-8-24(31-13-15)17-4-6-18(7-5-17)33-28(35)16(2)27-20-9-19(10-21(20)27)34-14-32-25-11-22(29)23(30)12-26(25)34/h3-8,11-14,16,19-21,27H,9-10H2,1-2H3,(H,33,35)/t16-,19-,20-,21+,27+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM506655
PNG
(2-((1R,3s,5S,6r)-3-(5,6- difluoro-1H-benzo[d]- imi...)
Show SMILES CC([C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12)C(=O)NC12CC(O)(C1)C2
Show InChI InChI=1S/C21H23F2N3O2/c1-10(19(27)25-20-6-21(28,7-20)8-20)18-12-2-11(3-13(12)18)26-9-24-16-4-14(22)15(23)5-17(16)26/h4-5,9-13,18,28H,2-3,6-8H2,1H3,(H,25,27)/t10?,11-,12-,13+,18+,20?,21?
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US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
HeLa cells were obtained from the American Type Culture Collection (ATCC) and maintained in DMEM media containing 10% FBS. Cells (7,000/well) were se...


US Patent US11046649 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%