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Patent code US11001583

Compile Data Set for Download or QSAR
Found 16 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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329648
PNG
(US11001583, Compound 4 | US9663515, Compound 4)
Show SMILES CC[C@@H]1N(C[C@@H]2CC[C@H](OC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H36F3N3O5S/c1-4-24-26-21(15-34(24)14-18-6-11-25(39-16-18)28(29,30)31)12-20(13-32-26)27(35)33-23(17-38-3)19-7-9-22(10-8-19)40(36,37)5-2/h7-10,12-13,18,23-25H,4-6,11,14-17H2,1-3H3,(H,33,35)/t18-,23-,24-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329658
PNG
(US11001583, Compound 14 | US9663515, Compound 14)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COCC(O)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C31H40F3N3O6S/c1-4-44(41,42)25-11-7-21(8-12-25)26(17-43-18-27(38)39)36-30(40)22-13-23-16-37(29(19(2)3)28(23)35-14-22)15-20-5-9-24(10-6-20)31(32,33)34/h7-8,11-14,19-20,24,26,29H,4-6,9-10,15-18H2,1-3H3,(H,36,40)(H,38,39)/t20-,24-,26-,29-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329656
PNG
(US11001583, Compound 12 | US9663515, Compound 12)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23-,25-,27+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329645
PNG
((S)-7-ethyl-N¿((R)-1-(4-(ethylsulfonyl)phenyl)-2-m...)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H38F3N3O4S/c1-4-26-27-22(17-35(26)16-19-6-10-23(11-7-19)29(30,31)32)14-21(15-33-27)28(36)34-25(18-39-3)20-8-12-24(13-9-20)40(37,38)5-2/h8-9,12-15,19,23,25-26H,4-7,10-11,16-18H2,1-3H3,(H,34,36)/t19-,23-,25-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329654
PNG
(US11001583, Compound 10 | US9663515, Compound 10)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21-,24-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329649
PNG
(US11001583, Compound 5 | US9663515, Compound 5)
Show SMILES CC[C@@H]1N(C[C@@H]2CC[C@@H](OC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H36F3N3O5S/c1-4-24-26-21(15-34(24)14-18-6-11-25(39-16-18)28(29,30)31)12-20(13-32-26)27(35)33-23(17-38-3)19-7-9-22(10-8-19)40(36,37)5-2/h7-10,12-13,18,23-25H,4-6,11,14-17H2,1-3H3,(H,33,35)/t18-,23-,24-,25+/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329653
PNG
(US11001583, Compound 9 | US9663515, Compound 9)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21+,24-,26+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329655
PNG
(US11001583, Compound 11 | US9663515, Compound 11)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23+,25-,27-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329646
PNG
((R)-2-((S)-7-ethyl-6-((trans-4-(trifluoromethyl)cy...)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H37F3N4O5S/c1-3-25-26-21(16-36(25)15-18-5-9-22(10-6-18)29(30,31)32)13-20(14-34-26)27(37)35-24(17-41-28(33)38)19-7-11-23(12-8-19)42(39,40)4-2/h7-8,11-14,18,22,24-25H,3-6,9-10,15-17H2,1-2H3,(H2,33,38)(H,35,37)/t18-,22-,24-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329650
PNG
(US11001583, Compound 6 | US9663515, Compound 6)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@H](OC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H36F3N3O5S/c1-4-24-26-21(15-34(24)14-18-6-11-25(39-16-18)28(29,30)31)12-20(13-32-26)27(35)33-23(17-38-3)19-7-9-22(10-8-19)40(36,37)5-2/h7-10,12-13,18,23-25H,4-6,11,14-17H2,1-3H3,(H,33,35)/t18-,23+,24+,25+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329652
PNG
(US11001583, Compound 8 | US9663515, Compound 8)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H40F3N3O4S/c1-5-41(38,39)25-12-8-21(9-13-25)26(18-40-4)35-29(37)22-14-23-17-36(28(19(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,19-20,24,26,28H,5-7,10-11,16-18H2,1-4H3,(H,35,37)/t20-,24+,26-,28-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329659
PNG
(US11001583, Compound 15 | US9663515, Compound 15)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H40F3N3O4S/c1-5-41(38,39)25-12-8-21(9-13-25)26(18-40-4)35-29(37)22-14-23-17-36(28(19(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,19-20,24,26,28H,5-7,10-11,16-18H2,1-4H3,(H,35,37)/t20-,24-,26-,28-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329660
PNG
(US11001583, Compound 16 | US9663515, Compound 16)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23-,25-,27-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329647
PNG
(US11001583, Compound 3 | US9663515, Compound 3)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](OC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H36F3N3O5S/c1-4-24-26-21(15-34(24)14-18-6-11-25(39-16-18)28(29,30)31)12-20(13-32-26)27(35)33-23(17-38-3)19-7-9-22(10-8-19)40(36,37)5-2/h7-10,12-13,18,23-25H,4-6,11,14-17H2,1-3H3,(H,33,35)/t18-,23+,24+,25-/m1/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM497234
PNG
(US11001583, Compound 7)
Show SMILES CCOC[C@H](NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C31H42F3N3O4S/c1-5-41-19-27(22-9-13-26(14-10-22)42(39,40)6-2)36-30(38)23-15-24-18-37(29(20(3)4)28(24)35-16-23)17-21-7-11-25(12-8-21)31(32,33)34/h9-10,13-16,20-21,25,27,29H,5-8,11-12,17-19H2,1-4H3,(H,36,38)/t21-,25-,27-,29-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM329657
PNG
(US11001583, Compound 13 | US9663515, Compound 13)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H37F3N4O5S/c1-3-25-26-21(16-36(25)15-18-5-9-22(10-6-18)29(30,31)32)13-20(14-34-26)27(37)35-24(17-41-28(33)38)19-7-11-23(12-8-19)42(39,40)4-2/h7-8,11-14,18,22,24-25H,3-6,9-10,15-17H2,1-2H3,(H2,33,38)(H,35,37)/t18-,22-,24-,25+/m0/s1
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 550n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...

US Patent US11001583 (2021)

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