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Patent code US11034661

Compile Data Set for Download or QSAR
Found 67 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))
BDBM503556
PNG
((S,Z)-3-((4-(N-(4- fluorobicyclo[4.2.0]octa-1(6),...)
Show SMILES NC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H15FN6O4/c16-8-2-1-7-3-11(10(7)4-8)18-13(19-24)12-14(21-26-20-12)25-9-5-22(6-9)15(17)23/h1-2,4,9,11,24H,3,5-6H2,(H2,17,23)(H,18,19)/t11-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503555
PNG
((S,Z)-N-(4-fluorobicyclo[4.2.0]octa- 1(6),2,4-tri...)
Show SMILES NS(=O)(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H15FN6O5S/c15-8-2-1-7-3-11(10(7)4-8)17-13(18-22)12-14(20-26-19-12)25-9-5-21(6-9)27(16,23)24/h1-2,4,9,11,22H,3,5-6H2,(H,17,18)(H2,16,23,24)/t11-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503536
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES NS(=O)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H17FN6O5S/c16-8-2-1-7-3-12(11(7)4-8)18-14(19-23)13-15(21-27-20-13)26-10-5-9(6-10)22-28(17,24)25/h1-2,4,9-10,12,22-23H,3,5-6H2,(H,18,19)(H2,17,24,25)/t9-,10+,12-/m0/s1
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n/an/a 36.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503557
PNG
((S,Z)-N-(4-fluorobicyclo[4.2.0]octa- 1(6),2,4-tri...)
Show SMILES NS(=O)(=O)NCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O5S/c15-9-3-2-8-6-11(10(8)7-9)18-13(19-22)12-14(21-26-20-12)25-5-1-4-17-27(16,23)24/h2-3,7,11,17,22H,1,4-6H2,(H,18,19)(H2,16,23,24)/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503526
PNG
(N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3...)
Show SMILES CCC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O4/c1-2-13(23)18-5-6-25-16-14(21-26-22-16)15(20-24)19-12-7-9-3-4-10(17)8-11(9)12/h3-4,8,12,24H,2,5-7H2,1H3,(H,18,23)(H,19,20)/t12-/m0/s1
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n/an/a 39.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503499
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES CS(=O)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H16FN5O5S/c1-26(22,23)16-4-5-24-14-12(19-25-20-14)13(18-21)17-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,16,21H,4-6H2,1H3,(H,17,18)/t11-/m0/s1
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n/an/a 48.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503535
PNG
(4-{[cis-3- (carbamoylamino)cyclobutyl]oxy}- N-[(...)
Show SMILES NC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H17FN6O4/c17-8-2-1-7-3-12(11(7)4-8)20-14(21-25)13-15(23-27-22-13)26-10-5-9(6-10)19-16(18)24/h1-2,4,9-10,12,25H,3,5-6H2,(H,20,21)(H3,18,19,24)/t9-,10+,12-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503494
PNG
(US11034661, Example 1)
Show SMILES NS(=O)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C13H15FN6O5S/c14-8-2-1-7-5-10(9(7)6-8)17-12(18-21)11-13(20-25-19-11)24-4-3-16-26(15,22)23/h1-2,6,10,16,21H,3-5H2,(H,17,18)(H2,15,22,23)/t10-/m0/s1
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n/an/a 49.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503529
PNG
(N-{cis-3-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa...)
Show SMILES CC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O4/c1-8(24)19-11-6-12(7-11)26-17-15(22-27-23-17)16(21-25)20-14-4-9-2-3-10(18)5-13(9)14/h2-3,5,11-12,14,25H,4,6-7H2,1H3,(H,19,24)(H,20,21)/t11-,12+,14-/m0/s1
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n/an/a 50.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503523
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OC1CN(C1)C(=O)c1nc[nH]n1
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n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503540
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OC1CN(C1)C(=O)C1(O)CC1
Show InChI InChI=1S/C18H18FN5O5/c19-10-2-1-9-5-13(12(9)6-10)20-15(21-27)14-16(23-29-22-14)28-11-7-24(8-11)17(25)18(26)3-4-18/h1-2,6,11,13,26-27H,3-5,7-8H2,(H,20,21)/t13-/m0/s1
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n/an/a 56.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503496
PNG
(US11034661, Example 3)
Show SMILES CC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H16FN5O4/c1-8(22)17-4-5-24-15-13(20-25-21-15)14(19-23)18-12-6-9-2-3-10(16)7-11(9)12/h2-3,7,12,23H,4-6H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1
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n/an/a 58.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503531
PNG
(N-{cis-3-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa...)
Show SMILES OCC(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c18-9-2-1-8-3-13(12(8)4-9)20-16(21-26)15-17(23-28-22-15)27-11-5-10(6-11)19-14(25)7-24/h1-2,4,10-11,13,24,26H,3,5-7H2,(H,19,25)(H,20,21)/t10-,11+,13-/m0/s1
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n/an/a 67.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503500
PNG
(2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5-...)
Show SMILES C[C@@H](CO)NC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(6-23)18-13(24)7-26-16-14(21-27-22-16)15(20-25)19-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,8,12,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t8-,12-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503522
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES NS(=O)(=O)CCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H16FN5O5S/c15-9-3-2-8-6-11(10(8)7-9)17-13(18-21)12-14(20-25-19-12)24-4-1-5-26(16,22)23/h2-3,7,11,21H,1,4-6H2,(H,17,18)(H2,16,22,23)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503511
PNG
(4-[3-(carbamoylamino)propoxy]-N- [(7S)-4-fluorobi...)
Show SMILES NC(=O)NCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H17FN6O4/c16-9-3-2-8-6-11(10(8)7-9)19-13(20-24)12-14(22-26-21-12)25-5-1-4-18-15(17)23/h2-3,7,11,24H,1,4-6H2,(H,19,20)(H3,17,18,23)/t11-/m0/s1
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n/an/a 74.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503504
PNG
(4-[2-(carbamoylamino)ethoxy]-N- (4-fluorobicyclo[...)
Show SMILES NC(=O)NCCOc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H15FN6O4/c15-8-2-1-7-5-10(9(7)6-8)18-12(19-23)11-13(21-25-20-11)24-4-3-17-14(16)22/h1-2,6,10,23H,3-5H2,(H,18,19)(H3,16,17,22)
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n/an/a 74.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503495
PNG
(US11034661, Example 2)
Show SMILES OCC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H16FN5O5/c17-9-2-1-8-3-12(11(8)4-9)18-15(19-25)14-16(21-27-20-14)26-10-5-22(6-10)13(24)7-23/h1-2,4,10,12,23,25H,3,5-7H2,(H,18,19)/t12-/m0/s1
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n/an/a 75.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503530
PNG
(N-{trans-3-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oc...)
Show SMILES CC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O4/c1-8(24)19-11-6-12(7-11)26-17-15(22-27-23-17)16(21-25)20-14-4-9-2-3-10(18)5-13(9)14/h2-3,5,11-12,14,25H,4,6-7H2,1H3,(H,19,24)(H,20,21)/t11-,12-,14-/m0/s1
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n/an/a 83.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503554
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien...)
Show SMILES C[C@@H](O)C(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c1-8(24)17(25)23-6-11(7-23)27-16-14(21-28-22-16)15(20-26)19-13-4-9-2-3-10(18)5-12(9)13/h2-3,5,8,11,13,24,26H,4,6-7H2,1H3,(H,19,20)/t8-,13+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503503
PNG
(2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5-...)
Show SMILES C[C@@H](O)CNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(23)6-18-13(24)7-26-16-14(21-27-22-16)15(20-25)19-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,8,12,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t8-,12+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503541
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES C[C@H](O)C(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c1-8(24)17(25)23-6-11(7-23)27-16-14(21-28-22-16)15(20-26)19-13-4-9-2-3-10(18)5-12(9)13/h2-3,5,8,11,13,24,26H,4,6-7H2,1H3,(H,19,20)/t8-,13-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503501
PNG
(2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5-...)
Show SMILES C[C@H](CO)NC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(6-23)18-13(24)7-26-16-14(21-27-22-16)15(20-25)19-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,8,12,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t8-,12+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503498
PNG
(N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3...)
Show SMILES OCC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H16FN5O5/c16-9-2-1-8-5-11(10(8)6-9)18-14(19-24)13-15(21-26-20-13)25-4-3-17-12(23)7-22/h1-2,6,11,22,24H,3-5,7H2,(H,17,23)(H,18,19)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503497
PNG
(US11034661, Example 4)
Show SMILES OCCNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H16FN5O5/c16-9-2-1-8-5-11(10(8)6-9)18-14(19-24)13-15(21-26-20-13)25-7-12(23)17-3-4-22/h1-2,6,11,22,24H,3-5,7H2,(H,17,23)(H,18,19)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503534
PNG
(US11034661, Example 41 | methyl {2-[(4-{N-[(7S)-4-...)
Show SMILES COC(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H16FN5O5/c1-24-15(22)17-4-5-25-14-12(20-26-21-14)13(19-23)18-11-6-8-2-3-9(16)7-10(8)11/h2-3,7,11,23H,4-6H2,1H3,(H,17,22)(H,18,19)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503559
PNG
(N-((1R,3s)-3-((4-((Z)-N-((S)-4- fluorobicyclo[4.2...)
Show SMILES CC(C)(O)C(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C19H22FN5O5/c1-19(2,27)18(26)21-11-7-12(8-11)29-17-15(24-30-25-17)16(23-28)22-14-5-9-3-4-10(20)6-13(9)14/h3-4,6,11-12,14,27-28H,5,7-8H2,1-2H3,(H,21,26)(H,22,23)/t11-,12+,14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503558
PNG
(N-((1R,3s)-3-((4-((Z)-N-((S)-4- fluorobicyclo[4.2...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1O[C@@H]1C[C@@H](C1)NC(=O)C1(O)CC1
Show InChI InChI=1S/C19H20FN5O5/c20-10-2-1-9-5-14(13(9)6-10)22-16(23-28)15-17(25-30-24-15)29-12-7-11(8-12)21-18(26)19(27)3-4-19/h1-2,6,11-12,14,27-28H,3-5,7-8H2,(H,21,26)(H,22,23)/t11-,12+,14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503510
PNG
(2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5-...)
Show SMILES NC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C13H12FN5O4/c14-7-2-1-6-3-9(8(6)4-7)16-12(17-21)11-13(19-23-18-11)22-5-10(15)20/h1-2,4,9,21H,3,5H2,(H2,15,20)(H,16,17)/t9-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503519
PNG
((2S)-N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES OC[C@H](O)C(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O6/c17-9-2-1-8-5-11(10(8)6-9)19-14(20-26)13-16(22-28-21-13)27-4-3-18-15(25)12(24)7-23/h1-2,6,11-12,23-24,26H,3-5,7H2,(H,18,25)(H,19,20)/t11-,12-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503546
PNG
(N-{(2S)-3-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES CC(=O)NC[C@H](O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(23)18-6-11(24)7-26-16-14(21-27-22-16)15(20-25)19-13-4-9-2-3-10(17)5-12(9)13/h2-3,5,11,13,24-25H,4,6-7H2,1H3,(H,18,23)(H,19,20)/t11-,13-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503548
PNG
(N-{(2S)-2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES CC(=O)NC[C@@H](CO)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(24)18-6-11(7-23)26-16-14(21-27-22-16)15(20-25)19-13-4-9-2-3-10(17)5-12(9)13/h2-3,5,11,13,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t11-,13-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503550
PNG
(4-{[trans-3- (carbamoylamino)cyclobutyl]oxy}- N-...)
Show SMILES NC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H17FN6O4/c17-8-2-1-7-3-12(11(7)4-8)20-14(21-25)13-15(23-27-22-13)26-10-5-9(6-10)19-16(18)24/h1-2,4,9-10,12,25H,3,5-6H2,(H,20,21)(H3,18,19,24)/t9-,10-,12-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503514
PNG
(4-[(azetidin-3-yl)oxy]-N-[(7S)-4- fluorobicyclo[4...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OC1CNC1
Show InChI InChI=1S/C14H14FN5O3/c15-8-2-1-7-3-11(10(7)4-8)17-13(18-21)12-14(20-23-19-12)22-9-5-16-6-9/h1-2,4,9,11,16,21H,3,5-6H2,(H,17,18)/t11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503515
PNG
(N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCCNC(=O)c1nc[nH]n1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503527
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES NS(=O)(=O)CCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C13H14FN5O5S/c14-8-2-1-7-5-10(9(7)6-8)16-12(17-20)11-13(19-24-18-11)23-3-4-25(15,21)22/h1-2,6,10,20H,3-5H2,(H,16,17)(H2,15,21,22)/t10-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503513
PNG
((2R)-N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES OC[C@@H](O)C(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O6/c17-9-2-1-8-5-11(10(8)6-9)19-14(20-26)13-16(22-28-21-13)27-4-3-18-15(25)12(24)7-23/h1-2,6,11-12,23-24,26H,3-5,7H2,(H,18,25)(H,19,20)/t11-,12+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503525
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES NS(=O)(=O)N1CC[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H17FN6O5S/c16-9-2-1-8-5-12(11(8)6-9)18-14(19-23)13-15(21-27-20-13)26-10-3-4-22(7-10)28(17,24)25/h1-2,6,10,12,23H,3-5,7H2,(H,18,19)(H2,17,24,25)/t10-,12-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503532
PNG
(N-{1-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3...)
Show SMILES CC(=O)NC(CO)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(24)18-11(6-23)7-26-16-14(21-27-22-16)15(20-25)19-13-4-9-2-3-10(17)5-12(9)13/h2-3,5,11,13,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t11?,13-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503552
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES OCC(=O)N1CC(COc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N\O)C1
Show InChI InChI=1S/C17H18FN5O5/c18-11-2-1-10-3-13(12(10)4-11)19-16(20-26)15-17(22-28-21-15)27-8-9-5-23(6-9)14(25)7-24/h1-2,4,9,13,24,26H,3,5-8H2,(H,19,20)/t13-/m0/s1
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n/an/a 364n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503521
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCCn1cnnc1
Show InChI InChI=1S/C15H14FN7O3/c16-10-2-1-9-5-12(11(9)6-10)19-14(20-24)13-15(22-26-21-13)25-4-3-23-7-17-18-8-23/h1-2,6-8,12,24H,3-5H2,(H,19,20)/t12-/m0/s1
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n/an/a 396n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503502
PNG
(2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5-...)
Show SMILES C[C@H](O)CNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(23)6-18-13(24)7-26-16-14(21-27-22-16)15(20-25)19-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,8,12,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t8-,12-/m0/s1
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n/an/a 413n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503517
PNG
(N-[(1S)-6-fluoro-2,3-dihydro-1H- inden-1-yl]-N'-h...)
Show SMILES NS(=O)(=O)NCCOc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O5S/c15-9-3-1-8-2-4-11(10(8)7-9)18-13(19-22)12-14(21-26-20-12)25-6-5-17-27(16,23)24/h1,3,7,11,17,22H,2,4-6H2,(H,18,19)(H2,16,23,24)/t11-/m0/s1
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n/an/a 421n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503509
PNG
(N-[(2R)-2,3-dihydroxypropyl]-2- [(4-{N-[(7S)-4- ...)
Show SMILES OC[C@H](O)CNC(=O)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O6/c17-9-2-1-8-3-12(11(8)4-9)19-15(20-26)14-16(22-28-21-14)27-7-13(25)18-5-10(24)6-23/h1-2,4,10,12,23-24,26H,3,5-7H2,(H,18,25)(H,19,20)/t10-,12+/m1/s1
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n/an/a 447n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503508
PNG
(4-{2-[carbamoyl(2- hydroxyethyl)amino]ethoxy}-N-(...)
Show SMILES NC(=O)N(CCO)CCOc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H19FN6O5/c17-10-2-1-9-7-12(11(9)8-10)19-14(20-26)13-15(22-28-21-13)27-6-4-23(3-5-24)16(18)25/h1-2,8,12,24,26H,3-7H2,(H2,18,25)(H,19,20)
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n/an/a 479n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503506
PNG
(2-[(4-{N-[(1S)-6-fluoro-2,3- dihydro-1H-inden-1-y...)
Show SMILES OCCNC(=O)COc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c17-10-3-1-9-2-4-12(11(9)7-10)19-15(20-25)14-16(22-27-21-14)26-8-13(24)18-5-6-23/h1,3,7,12,23,25H,2,4-6,8H2,(H,18,24)(H,19,20)/t12-/m0/s1
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n/an/a 483n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503543
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES OCC(=O)N1CCC(CC1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C18H20FN5O5/c19-11-2-1-10-7-14(13(10)8-11)20-17(21-27)16-18(23-29-22-16)28-12-3-5-24(6-4-12)15(26)9-25/h1-2,8,12,14,25,27H,3-7,9H2,(H,20,21)/t14-/m0/s1
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n/an/a 516n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503505
PNG
(N-(2,3-dihydroxypropyl)-2-({4-[N- (4-fluorobicycl...)
Show SMILES OCC(O)CNC(=O)COc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O6/c17-9-2-1-8-3-12(11(8)4-9)19-15(20-26)14-16(22-28-21-14)27-7-13(25)18-5-10(24)6-23/h1-2,4,10,12,23-24,26H,3,5-7H2,(H,18,25)(H,19,20)
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n/an/a 700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503524
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES NS(=O)(=O)N1CC[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H17FN6O5S/c16-9-2-1-8-5-12(11(8)6-9)18-14(19-23)13-15(21-27-20-13)26-10-3-4-22(7-10)28(17,24)25/h1-2,6,10,12,23H,3-5,7H2,(H,18,19)(H2,17,24,25)/t10-,12+/m1/s1
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n/an/a 747n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503537
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCC(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C17H18FN5O5/c18-10-2-1-9-5-13(12(9)6-10)19-16(20-26)15-17(22-28-21-15)27-8-14(25)23-4-3-11(24)7-23/h1-2,6,11,13,24,26H,3-5,7-8H2,(H,19,20)/t11-,13+/m1/s1
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n/an/a 866n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503507
PNG
(2-({4-[N-(4- fluorobicyclo[4.2.0]octa-1,3,5-trien...)
Show SMILES CC(C)(O)CNC(=O)COc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H20FN5O5/c1-17(2,25)8-19-13(24)7-27-16-14(22-28-23-16)15(21-26)20-12-5-9-3-4-10(18)6-11(9)12/h3-4,6,12,25-26H,5,7-8H2,1-2H3,(H,19,24)(H,20,21)
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n/an/a 985n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503538
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1OCC(=O)N1CC[C@H](O)C1
Show InChI InChI=1S/C17H18FN5O5/c18-10-2-1-9-5-13(12(9)6-10)19-16(20-26)15-17(22-28-21-15)27-8-14(25)23-4-3-11(24)7-23/h1-2,6,11,13,24,26H,3-5,7-8H2,(H,19,20)/t11-,13-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503544
PNG
(N-{(2R)-1-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES CC(=O)N[C@H](CO)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(24)18-11(6-23)7-26-16-14(21-27-22-16)15(20-25)19-13-4-9-2-3-10(17)5-12(9)13/h2-3,5,11,13,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t11-,13+/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503518
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES OCC(=O)N1CC[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c18-10-2-1-9-5-13(12(9)6-10)19-16(20-26)15-17(22-28-21-15)27-11-3-4-23(7-11)14(25)8-24/h1-2,6,11,13,24,26H,3-5,7-8H2,(H,19,20)/t11-,13-/m0/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503553
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES OCC(=O)N1CC[C@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c18-10-2-1-9-5-13(12(9)6-10)19-16(20-26)15-17(22-28-21-15)27-11-3-4-23(7-11)14(25)8-24/h1-2,6,11,13,24,26H,3-5,7-8H2,(H,19,20)/t11-,13+/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503520
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES CS(=O)(=O)CCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H15FN4O5S/c1-25(21,22)5-4-23-14-12(18-24-19-14)13(17-20)16-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,20H,4-6H2,1H3,(H,16,17)/t11-/m0/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503547
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES OCC(=O)N1CC[C@H]1COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c18-10-2-1-9-5-13(12(9)6-10)19-16(20-26)15-17(22-28-21-15)27-8-11-3-4-23(11)14(25)7-24/h1-2,6,11,13,24,26H,3-5,7-8H2,(H,19,20)/t11-,13-/m0/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503549
PNG
(N-{trans-3-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oc...)
Show SMILES OCC(=O)N[C@H]1C[C@@H](C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H18FN5O5/c18-9-2-1-8-3-13(12(8)4-9)20-16(21-26)15-17(23-28-22-15)27-11-5-10(6-11)19-14(25)7-24/h1-2,4,10-11,13,24,26H,3,5-7H2,(H,19,25)(H,20,21)/t10-,11-,13-/m0/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503551
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES OCC(=O)N1CCC[C@@H]1COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C18H20FN5O5/c19-11-4-3-10-6-14(13(10)7-11)20-17(21-27)16-18(23-29-22-16)28-9-12-2-1-5-24(12)15(26)8-25/h3-4,7,12,14,25,27H,1-2,5-6,8-9H2,(H,20,21)/t12-,14+/m1/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503560
PNG
((Z)-N-((S)-4- fluorobicyclo[4.2.0]octa-1(6),2,4- ...)
Show SMILES C[C@@H](CNS(N)(=O)=O)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O5S/c1-7(6-17-27(16,23)24)25-14-12(20-26-21-14)13(19-22)18-11-4-8-2-3-9(15)5-10(8)11/h2-3,5,7,11,17,22H,4,6H2,1H3,(H,18,19)(H2,16,23,24)/t7-,11-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503516
PNG
(2-({4-[N-(4- fluorobicyclo[4.2.0]octa-1,3,5-trien...)
Show SMILES CC(Oc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O)C(=O)NCCO
Show InChI InChI=1S/C16H18FN5O5/c1-8(15(24)18-4-5-23)26-16-13(21-27-22-16)14(20-25)19-12-6-9-2-3-10(17)7-11(9)12/h2-3,7-8,12,23,25H,4-6H2,1H3,(H,18,24)(H,19,20)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503545
PNG
(N-{(2S)-1-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES CC(=O)N[C@@H](CO)COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(24)18-11(6-23)7-26-16-14(21-27-22-16)15(20-25)19-13-4-9-2-3-10(17)5-12(9)13/h2-3,5,11,13,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t11-,13-/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503528
PNG
(N-{1-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3...)
Show SMILES CC(C)(COc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)NC(=O)CO
Show InChI InChI=1S/C17H20FN5O5/c1-17(2,20-13(25)7-24)8-27-16-14(22-28-23-16)15(21-26)19-12-5-9-3-4-10(18)6-11(9)12/h3-4,6,12,24,26H,5,7-8H2,1-2H3,(H,19,21)(H,20,25)/t12-/m0/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503533
PNG
(N-{(2S)-2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES C[C@@H](CNC(C)=O)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O4/c1-8(7-18-9(2)23)25-16-14(21-26-22-16)15(20-24)19-13-5-10-3-4-11(17)6-12(10)13/h3-4,6,8,13,24H,5,7H2,1-2H3,(H,18,23)(H,19,20)/t8-,13-/m0/s1
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n/an/a 2.38E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503539
PNG
(N-{(2S)-2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]oct...)
Show SMILES C[C@@H](CNC(=O)CO)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H18FN5O5/c1-8(6-18-13(24)7-23)26-16-14(21-27-22-16)15(20-25)19-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,8,12,23,25H,4,6-7H2,1H3,(H,18,24)(H,19,20)/t8-,12-/m0/s1
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n/an/a 2.45E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503512
PNG
(2-({4-[N-(4- fluorobicyclo[4.2.0]octa-1,3,5-trien...)
Show SMILES CC(C)(Oc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O)C(=O)NCCO
Show InChI InChI=1S/C17H20FN5O5/c1-17(2,16(25)19-5-6-24)27-15-13(22-28-23-15)14(21-26)20-12-7-9-3-4-10(18)8-11(9)12/h3-4,8,12,24,26H,5-7H2,1-2H3,(H,19,25)(H,20,21)
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n/an/a 7.79E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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


(Homo sapiens (Human))
BDBM503542
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7...)
Show SMILES NS(=O)(=O)N1CCC(CC1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H19FN6O5S/c17-10-2-1-9-7-13(12(9)8-10)19-15(20-24)14-16(22-28-21-14)27-11-3-5-23(6-4-11)29(18,25)26/h1-2,8,11,13,24H,3-7H2,(H,19,20)(H2,18,25,26)/t13-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...


US Patent US11034661 (2021)

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