Found 16 hits Enz. Inhib. hit(s) with all data for entry = 1521 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329645
((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 |r,wU:25.27,8.11,wD:2.1,5.4,(-5.94,-18.02,;-4.43,-17.7,;-3.95,-16.24,;-4.86,-14.99,;-6.4,-14.99,;-7.17,-13.66,;-6.4,-12.33,;-7.17,-10.99,;-8.71,-10.99,;-9.48,-12.33,;-8.71,-13.66,;-9.48,-9.66,;-8.71,-8.32,;-11.02,-9.66,;-10.25,-8.32,;-3.95,-13.75,;-2.49,-14.22,;-1.16,-13.45,;.18,-14.22,;.18,-15.76,;-1.16,-16.53,;-2.49,-15.76,;1.51,-13.45,;1.51,-11.91,;2.85,-14.22,;4.18,-13.45,;4.18,-11.91,;5.51,-11.14,;5.51,-9.6,;5.51,-14.22,;5.51,-15.76,;6.85,-16.53,;7.91,-15.61,;8.18,-14.22,;6.85,-13.45,;9.11,-16.3,;8.42,-17.5,;9.8,-15.1,;10.3,-16.99,;11.5,-16.3,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329660
(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 |r,wU:33.37,11.17,wD:30.30,24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-6.31,1.29,;-7.08,2.62,;-8.62,2.62,;-9.39,1.29,;-8.62,-.04,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329647
(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 |r| 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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329648
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329649
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329650
(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 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329651
(US9663515, Compound 7)Show SMILES CCOC[C@H](NC(=O)c1cnc2[C@H](CC)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC |r,wU:20.23,4.4,wD:17.16,12.12,(6.93,4.75,;5.6,3.98,;5.6,2.44,;4.26,1.67,;4.26,.13,;2.93,-.64,;1.6,.13,;1.6,1.67,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;-3.87,-2.66,;-4.64,-3.99,;-5.97,-4.76,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)| Show InChI InChI=1S/C30H40F3N3O4S/c1-4-27-28-23(18-36(27)17-20-7-11-24(12-8-20)30(31,32)33)15-22(16-34-28)29(37)35-26(19-40-5-2)21-9-13-25(14-10-21)41(38,39)6-3/h9-10,13-16,20,24,26-27H,4-8,11-12,17-19H2,1-3H3,(H,35,37)/t20-,24-,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329652
(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 |r,wU:31.35,28.28,11.15,wD:22.23,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329653
(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 |r,wU:33.37,30.30,wD:11.17,24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;8.27,-.61,;6.93,.16,;5.6,-.61,;5.6,-2.15,;6.93,-2.92,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329654
(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 |r,wU:33.37,11.17,wD:30.30,24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;8.27,-.61,;6.93,.16,;5.6,-.61,;5.6,-2.15,;6.93,-2.92,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-6.31,1.29,;-7.08,2.62,;-8.62,2.62,;-9.39,1.29,;-8.62,-.04,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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| PC cid
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UniChem
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329655
(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 |r,wU:33.37,30.30,11.17,wD:24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329656
(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 |r,wU:33.37,wD:30.30,11.17,24.25,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;5.6,2.47,;5.6,4.01,;6.93,4.78,;4.27,4.78,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-6.31,1.29,;-7.08,2.62,;-8.62,2.62,;-9.39,1.29,;-8.62,-.04,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329646
((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 |r,wU:25.27,8.11,wD:2.1,5.4,(-1.61,-24.6,;-.1,-24.28,;.38,-22.82,;-.53,-21.57,;-2.07,-21.57,;-2.84,-20.24,;-2.07,-18.91,;-2.84,-17.57,;-4.38,-17.57,;-5.15,-18.91,;-4.38,-20.24,;-5.15,-16.24,;-4.38,-14.9,;-6.69,-16.24,;-5.92,-14.9,;.38,-20.33,;1.84,-20.8,;3.17,-20.03,;4.51,-20.8,;4.51,-22.34,;3.17,-23.11,;1.84,-22.34,;5.84,-20.03,;5.84,-18.49,;7.18,-20.8,;8.51,-20.03,;8.51,-18.49,;9.84,-17.72,;9.84,-16.07,;11.27,-15.25,;8.41,-15.25,;9.84,-20.8,;9.84,-22.34,;11.18,-23.11,;12.51,-22.34,;12.51,-20.8,;11.18,-20.03,;13.84,-23.11,;13.02,-24.54,;14.67,-24.54,;15.27,-22.29,;16.7,-23.11,)| 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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329658
(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 |r,wU:31.31,11.18,wD:34.38,25.26,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;1.6,4.78,;1.6,6.32,;.26,4.01,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329659
(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 |r,wU:31.35,11.15,wD:28.28,22.23,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-6.31,1.29,;-7.08,2.62,;-8.62,2.62,;-9.39,1.29,;-8.62,-.04,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| 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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM329657
(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 |r,wU:8.11,25.27,2.1,wD:5.4,(-5.97,-4.76,;-4.64,-3.99,;-3.87,-2.66,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;1.6,.13,;1.6,1.67,;2.93,-.64,;4.26,.13,;4.26,1.67,;5.6,2.44,;5.6,3.98,;6.93,4.75,;4.27,4.75,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)| 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 | PDB
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antibodypedia
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
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 US9663515 (2017)
BindingDB Entry DOI: 10.7270/Q21N837W |
More data for this
Ligand-Target Pair | |
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