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Compile Data Set for Download or QSAR

Found 137 hits Enz. Inhib. hit(s) with all data for entry = 2012   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))		BDBM21674
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))		BDBM21675
PNG
((4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethy...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Show InChI InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))		BDBM350695
PNG
(US10208081, Example 1)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc5ccccc5c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C36H52N2O5S/c1-5-27-31-21-25(39)14-17-36(31,4)30-15-18-35(3)28(12-13-29(35)32(30)33(27)40)22(2)16-19-37-34(41)38-44(42,43)26-11-10-23-8-6-7-9-24(23)20-26/h6-11,20,22,25,27-33,39-40H,5,12-19,21H2,1-4H3,(H2,37,38,41)/t22-,25-,27-,28-,29+,30+,31+,32+,33-,35-,36-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350696
PNG
(US10208081, Example 2)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H49F3N2O6S/c1-5-23-27-18-20(39)12-15-32(27,4)26-13-16-31(3)24(10-11-25(31)28(26)29(23)40)19(2)14-17-37-30(41)38-45(42,43)22-8-6-21(7-9-22)44-33(34,35)36/h6-9,19-20,23-29,39-40H,5,10-18H2,1-4H3,(H2,37,38,41)/t19-,20-,23-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350697
PNG
(US10208081, Example 127 | US10208081, Example 3 | ...)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C36H58N2O5S/c1-8-26-30-21-24(39)15-18-36(30,7)29-16-19-35(6)27(13-14-28(35)31(29)32(26)40)22(2)17-20-37-33(41)38-44(42,43)25-11-9-23(10-12-25)34(3,4)5/h9-12,22,24,26-32,39-40H,8,13-21H2,1-7H3,(H2,37,38,41)/t22-,24-,26-,27-,28+,29+,30+,31+,32-,35-,36-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350698
PNG
(US10208081, Example 4)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H50N2O5S/c1-5-23-27-19-21(35)13-16-32(27,4)26-14-17-31(3)24(11-12-25(31)28(26)29(23)36)20(2)15-18-33-30(37)34-40(38,39)22-9-7-6-8-10-22/h6-10,20-21,23-29,35-36H,5,11-19H2,1-4H3,(H2,33,34,37)/t20-,21-,23-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350699
PNG
(US10208081, Example 5)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C29H50N2O5S/c1-5-20-24-16-18(32)10-13-29(24,4)23-11-14-28(3)21(8-9-22(28)25(23)26(20)33)17(2)12-15-30-27(34)31-37(35,36)19-6-7-19/h17-26,32-33H,5-16H2,1-4H3,(H2,30,31,34)/t17-,18-,20-,21-,22+,23+,24+,25+,26-,28-,29-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350700
PNG
(US10208081, Example 6)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(C)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C27H48N2O5S/c1-6-18-22-15-17(30)9-12-27(22,4)21-10-13-26(3)19(7-8-20(26)23(21)24(18)31)16(2)11-14-28-25(32)29-35(5,33)34/h16-24,30-31H,6-15H2,1-5H3,(H2,28,29,32)/t16-,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350701
PNG
(US10208081, Example 7)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C29H52N2O5S/c1-7-20-24-16-19(32)10-13-29(24,6)23-11-14-28(5)21(8-9-22(28)25(23)26(20)33)18(4)12-15-30-27(34)31-37(35,36)17(2)3/h17-26,32-33H,7-16H2,1-6H3,(H2,30,31,34)/t18-,19-,20-,21-,22+,23+,24+,25+,26-,28-,29-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350702
PNG
(US10208081, Example 10 | US10266560, Example 18)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NS(=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H49NO5S/c1-5-23-27-19-21(34)15-17-32(27,4)26-16-18-31(3)24(12-13-25(31)29(26)30(23)36)20(2)11-14-28(35)33-39(37,38)22-9-7-6-8-10-22/h6-10,20-21,23-27,29-30,34,36H,5,11-19H2,1-4H3,(H,33,35)/t20-,21-,23-,24-,25+,26+,27+,29+,30-,31-,32-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350703
PNG
(US10208081, Example 11)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NS(=O)(=O)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C29H51NO5S/c1-7-20-24-16-19(31)12-14-29(24,6)23-13-15-28(5)21(9-10-22(28)26(23)27(20)33)18(4)8-11-25(32)30-36(34,35)17(2)3/h17-24,26-27,31,33H,7-16H2,1-6H3,(H,30,32)/t18-,19-,20-,21-,22+,23+,24+,26+,27-,28-,29-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350704
PNG
(US10208081, Example 12)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCNC(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C37H60N2O5S/c1-8-27-31-22-25(40)17-19-37(31,7)30-18-20-36(6)28(15-16-29(36)32(30)33(27)41)23(2)10-9-21-38-34(42)39-45(43,44)26-13-11-24(12-14-26)35(3,4)5/h11-14,23,25,27-33,40-41H,8-10,15-22H2,1-7H3,(H2,38,39,42)/t23-,25-,27-,28-,29+,30+,31+,32+,33-,36-,37-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350705
PNG
(US10208081, Example 13)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(C)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H52N2O5S/c1-6-24-28-19-22(36)12-15-33(28,5)27-13-16-32(4)25(10-11-26(32)29(27)30(24)37)21(3)14-17-34-31(38)35-41(39,40)23-9-7-8-20(2)18-23/h7-9,18,21-22,24-30,36-37H,6,10-17,19H2,1-5H3,(H2,34,35,38)/t21-,22-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350706
PNG
(US10208081, Example 14)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(cc4)C(F)(F)F)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H49F3N2O5S/c1-5-23-27-18-21(39)12-15-32(27,4)26-13-16-31(3)24(10-11-25(31)28(26)29(23)40)19(2)14-17-37-30(41)38-44(42,43)22-8-6-20(7-9-22)33(34,35)36/h6-9,19,21,23-29,39-40H,5,10-18H2,1-4H3,(H2,37,38,41)/t19-,21-,23-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350707
PNG
(US10208081, Example 15)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(OC)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H52N2O6S/c1-6-24-28-19-21(36)13-16-33(28,4)27-14-17-32(3)25(11-12-26(32)29(27)30(24)37)20(2)15-18-34-31(38)35-42(39,40)23-9-7-22(41-5)8-10-23/h7-10,20-21,24-30,36-37H,6,11-19H2,1-5H3,(H2,34,35,38)/t20-,21-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350708
PNG
(US10208081, Example 16)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C)c(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H51FN2O5S/c1-6-23-27-17-21(37)11-14-33(27,5)26-12-15-32(4)24(9-10-25(32)29(26)30(23)38)19(2)13-16-35-31(39)36-42(40,41)22-8-7-20(3)28(34)18-22/h7-8,18-19,21,23-27,29-30,37-38H,6,9-17H2,1-5H3,(H2,35,36,39)/t19-,21-,23-,24-,25+,26+,27+,29+,30-,32-,33-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350709
PNG
(US10208081, Example 17)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(C)c(C)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C34H54N2O5S/c1-7-25-29-19-23(37)12-15-34(29,6)28-13-16-33(5)26(10-11-27(33)30(28)31(25)38)21(3)14-17-35-32(39)36-42(40,41)24-9-8-20(2)22(4)18-24/h8-9,18,21,23,25-31,37-38H,7,10-17,19H2,1-6H3,(H2,35,36,39)/t21-,23-,25-,26-,27+,28+,29+,30+,31-,33-,34-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350710
PNG
(US10208081, Example 18)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCNC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C34H51F3N2O6S/c1-5-24-28-19-21(40)14-16-33(28,4)27-15-17-32(3)25(12-13-26(32)29(27)30(24)41)20(2)7-6-18-38-31(42)39-46(43,44)23-10-8-22(9-11-23)45-34(35,36)37/h8-11,20-21,24-30,40-41H,5-7,12-19H2,1-4H3,(H2,38,39,42)/t20-,21-,24-,25-,26+,27+,28+,29+,30-,32-,33-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350711
PNG
(US10208081, Example 19)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCNC(=O)NS(=O)(=O)c4ccc5ccccc5c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C37H54N2O5S/c1-5-28-32-22-26(40)16-18-37(32,4)31-17-19-36(3)29(14-15-30(36)33(31)34(28)41)23(2)9-8-20-38-35(42)39-45(43,44)27-13-12-24-10-6-7-11-25(24)21-27/h6-7,10-13,21,23,26,28-34,40-41H,5,8-9,14-20,22H2,1-4H3,(H2,38,39,42)/t23-,26-,28-,29-,30+,31+,32+,33+,34-,36-,37-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350712
PNG
(US10208081, Example 20)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCNC(=O)NS(=O)(=O)C4CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H52N2O5S/c1-5-21-25-17-19(33)12-14-30(25,4)24-13-15-29(3)22(10-11-23(29)26(24)27(21)34)18(2)7-6-16-31-28(35)32-38(36,37)20-8-9-20/h18-27,33-34H,5-17H2,1-4H3,(H2,31,32,35)/t18-,19-,21-,22-,23+,24+,25+,26+,27-,29-,30-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350713
PNG
(US10208081, Example 21)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccs4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H48N2O4S2/c1-5-20-17-22-24-9-8-23(19(2)12-15-31-28(34)32-38(35,36)27-7-6-16-37-27)29(24,3)14-11-25(22)30(4)13-10-21(33)18-26(20)30/h6-7,16,19-26,33H,5,8-15,17-18H2,1-4H3,(H2,31,32,34)/t19-,20+,21-,22+,23-,24+,25+,26+,29-,30-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350714
PNG
(US10208081, Example 22)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H56N2O4S/c1-5-22-19-25-27-12-11-26(31(27,3)17-14-28(25)32(4)16-13-23(35)20-29(22)32)21(2)15-18-33-30(36)34-39(37,38)24-9-7-6-8-10-24/h21-29,35H,5-20H2,1-4H3,(H2,33,34,36)/t21-,22+,23-,25+,26-,27+,28+,29+,31-,32-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350715
PNG
(US10208081, Example 23)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc5OCOc5c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H50N2O6S/c1-5-21-16-24-26-8-7-25(32(26,3)14-11-27(24)33(4)13-10-22(36)17-28(21)33)20(2)12-15-34-31(37)35-42(38,39)23-6-9-29-30(18-23)41-19-40-29/h6,9,18,20-22,24-28,36H,5,7-8,10-17,19H2,1-4H3,(H2,34,35,37)/t20-,21+,22-,24+,25-,26+,27+,28+,32-,33-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350716
PNG
(US10208081, Example 24)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(Cl)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H49ClN2O4S/c1-5-21-17-25-27-10-9-26(31(27,3)15-12-28(25)32(4)14-11-23(36)19-29(21)32)20(2)13-16-34-30(37)35-40(38,39)24-8-6-7-22(33)18-24/h6-8,18,20-21,23,25-29,36H,5,9-17,19H2,1-4H3,(H2,34,35,37)/t20-,21+,23-,25+,26-,27+,28+,29+,31-,32-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350717
PNG
(US10208081, Example 25)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H49ClN2O4S/c1-5-21-18-25-27-11-10-26(31(27,3)16-13-28(25)32(4)15-12-23(36)19-29(21)32)20(2)14-17-34-30(37)35-40(38,39)24-8-6-22(33)7-9-24/h6-9,20-21,23,25-29,36H,5,10-19H2,1-4H3,(H2,34,35,37)/t20-,21+,23-,25+,26-,27+,28+,29+,31-,32-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350718
PNG
(US10208081, Example 26)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCN(C)C(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C37H60N2O4S/c1-9-25-22-29-31-15-14-30(36(31,6)20-17-32(29)37(7)19-16-27(40)23-33(25)37)24(2)18-21-39(8)34(41)38-44(42,43)28-12-10-26(11-13-28)35(3,4)5/h10-13,24-25,27,29-33,40H,9,14-23H2,1-8H3,(H,38,41)/t24-,25+,27-,29+,30-,31+,32+,33+,36-,37-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350719
PNG
(US10208081, Example 27)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4CCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C31H54N2O4S/c1-5-21-18-24-26-11-10-25(20(2)14-17-32-29(35)33-38(36,37)23-8-6-7-9-23)30(26,3)16-13-27(24)31(4)15-12-22(34)19-28(21)31/h20-28,34H,5-19H2,1-4H3,(H2,32,33,35)/t20-,21+,22-,24+,25-,26+,27+,28+,30-,31-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350720
PNG
(US10208081, Example 28)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H54N2O4S/c1-8-20-17-22-24-10-9-23(19(2)13-16-31-27(34)32-37(35,36)28(3,4)5)29(24,6)15-12-25(22)30(7)14-11-21(33)18-26(20)30/h19-26,33H,8-18H2,1-7H3,(H2,31,32,34)/t19-,20+,21-,22+,23-,24+,25+,26+,29-,30-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350721
PNG
(US10208081, Example 29)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(C)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C26H46N2O4S/c1-6-17-13-19-21-8-7-20(16(2)15-27-24(30)28-33(5,31)32)25(21,3)12-10-22(19)26(4)11-9-18(29)14-23(17)26/h16-23,29H,6-15H2,1-5H3,(H2,27,28,30)/t16-,17+,18-,19+,20-,21+,22+,23+,25-,26-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350722
PNG
(US10208081, Example 30)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)C4CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C28H48N2O4S/c1-5-18-14-21-23-9-8-22(17(2)16-29-26(32)30-35(33,34)20-6-7-20)27(23,3)13-11-24(21)28(4)12-10-19(31)15-25(18)28/h17-25,31H,5-16H2,1-4H3,(H2,29,30,32)/t17-,18+,19-,21+,22-,23+,24+,25+,27-,28-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350723
PNG
(US10208081, Example 31)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C31H48N2O4S/c1-5-21-17-24-26-12-11-25(20(2)19-32-29(35)33-38(36,37)23-9-7-6-8-10-23)30(26,3)16-14-27(24)31(4)15-13-22(34)18-28(21)31/h6-10,20-22,24-28,34H,5,11-19H2,1-4H3,(H2,32,33,35)/t20-,21+,22-,24+,25-,26+,27+,28+,30-,31-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350724
PNG
(US10208081, Example 32)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc5ccccc5c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C35H50N2O4S/c1-5-23-19-28-30-13-12-29(34(30,3)17-15-31(28)35(4)16-14-26(38)20-32(23)35)22(2)21-36-33(39)37-42(40,41)27-11-10-24-8-6-7-9-25(24)18-27/h6-11,18,22-23,26,28-32,38H,5,12-17,19-21H2,1-4H3,(H2,36,37,39)/t22-,23+,26-,28+,29-,30+,31+,32+,34-,35-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350725
PNG
(US10208081, Example 33)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C35H56N2O4S/c1-8-23-19-27-29-14-13-28(34(29,6)18-16-30(27)35(7)17-15-25(38)20-31(23)35)22(2)21-36-32(39)37-42(40,41)26-11-9-24(10-12-26)33(3,4)5/h9-12,22-23,25,27-31,38H,8,13-21H2,1-7H3,(H2,36,37,39)/t22-,23+,25-,27+,28-,29+,30+,31+,34-,35-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350726
PNG
(US10208081, Example 34)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H47F3N2O5S/c1-5-20-16-24-26-11-10-25(30(26,3)15-13-27(24)31(4)14-12-21(38)17-28(20)31)19(2)18-36-29(39)37-43(40,41)23-8-6-22(7-9-23)42-32(33,34)35/h6-9,19-21,24-28,38H,5,10-18H2,1-4H3,(H2,36,37,39)/t19-,20+,21-,24+,25-,26+,27+,28+,30-,31-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350727
PNG
(US10208081, Example 35)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCN(C)C(=O)NS(=O)(=O)C4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H58N2O4S/c1-6-23-20-26-28-13-12-27(32(28,3)18-15-29(26)33(4)17-14-24(36)21-30(23)33)22(2)16-19-35(5)31(37)34-40(38,39)25-10-8-7-9-11-25/h22-30,36H,6-21H2,1-5H3,(H,34,37)/t22-,23+,24-,26+,27-,28+,29+,30+,32-,33-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350728
PNG
(US10208081, Example 36)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCN(C)C(=O)NS(=O)(=O)c4ccc5ccccc5c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C37H54N2O4S/c1-6-25-22-30-32-14-13-31(36(32,3)19-16-33(30)37(4)18-15-28(40)23-34(25)37)24(2)17-20-39(5)35(41)38-44(42,43)29-12-11-26-9-7-8-10-27(26)21-29/h7-12,21,24-25,28,30-34,40H,6,13-20,22-23H2,1-5H3,(H,38,41)/t24-,25+,28-,30+,31-,32+,33+,34+,36-,37-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350729
PNG
(US10208081, Example 37)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCOCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H53N3O6S/c1-5-21-25-18-20(34)8-11-30(25,4)24-9-12-29(3)22(6-7-23(29)26(24)27(21)35)19(2)10-13-31-28(36)32-40(37,38)33-14-16-39-17-15-33/h19-27,34-35H,5-18H2,1-4H3,(H2,31,32,36)/t19-,20-,21-,22-,23+,24+,25+,26+,27-,29-,30-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350730
PNG
(US10208081, Example 38)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc5ccccc45)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C36H52N2O4S/c1-5-24-21-28-30-14-13-29(35(30,3)19-16-31(28)36(4)18-15-26(39)22-32(24)36)23(2)17-20-37-34(40)38-43(41,42)33-12-8-10-25-9-6-7-11-27(25)33/h6-12,23-24,26,28-32,39H,5,13-22H2,1-4H3,(H2,37,38,40)/t23-,24+,26-,28+,29-,30+,31+,32+,35-,36-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350731
PNG
(US10208081, Example 39 | US10208081, Example 78)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C31H55N3O5S/c1-5-22-26-19-21(35)11-14-31(26,4)25-12-15-30(3)23(9-10-24(30)27(25)28(22)36)20(2)13-16-32-29(37)33-40(38,39)34-17-7-6-8-18-34/h20-28,35-36H,5-19H2,1-4H3,(H2,32,33,37)/t20-,21-,22-,23-,24+,25+,26+,27+,28-,30-,31-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350732
PNG
(US10208081, Example 40)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccccc4Cl)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H49ClN2O4S/c1-5-21-18-23-25-11-10-24(31(25,3)16-13-26(23)32(4)15-12-22(36)19-27(21)32)20(2)14-17-34-30(37)35-40(38,39)29-9-7-6-8-28(29)33/h6-9,20-27,36H,5,10-19H2,1-4H3,(H2,34,35,37)/t20-,21+,22-,23+,24-,25+,26+,27+,31-,32-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350733
PNG
(US10208081, Example 41)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)C4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C31H54N2O4S/c1-5-21-17-24-26-12-11-25(20(2)19-32-29(35)33-38(36,37)23-9-7-6-8-10-23)30(26,3)16-14-27(24)31(4)15-13-22(34)18-28(21)31/h20-28,34H,5-19H2,1-4H3,(H2,32,33,35)/t20-,21+,22-,24+,25-,26+,27+,28+,30-,31-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350734
PNG
(US10208081, Example 42)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)N4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H53N3O4S/c1-5-21-17-23-25-10-9-24(20(2)19-31-28(35)32-38(36,37)33-15-7-6-8-16-33)29(25,3)14-12-26(23)30(4)13-11-22(34)18-27(21)30/h20-27,34H,5-19H2,1-4H3,(H2,31,32,35)/t20-,21+,22-,23+,24-,25+,26+,27+,29-,30-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350735
PNG
(US10208081, Example 43)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CNC(=O)NS(=O)(=O)N4CCOCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C29H51N3O5S/c1-5-20-16-22-24-7-6-23(19(2)18-30-27(34)31-38(35,36)32-12-14-37-15-13-32)28(24,3)11-9-25(22)29(4)10-8-21(33)17-26(20)29/h19-26,33H,5-18H2,1-4H3,(H2,30,31,34)/t19-,20+,21-,22+,23-,24+,25+,26+,28-,29-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350736
PNG
(US10208081, Example 45)
Show SMILES CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)NC(=O)NS(=O)(=O)C4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H58N2O4S/c1-6-23-19-26-28-13-12-27(32(28,4)17-15-29(26)33(5)16-14-24(36)20-30(23)33)21(2)18-22(3)34-31(37)35-40(38,39)25-10-8-7-9-11-25/h21-30,36H,6-20H2,1-5H3,(H2,34,35,37)/t21-,22+,23+,24-,26+,27-,28+,29+,30+,32-,33-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350737
PNG
(US10208081, Example 46)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)C4(C)CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H52N2O5S/c1-6-20-24-17-19(33)9-12-30(24,5)23-10-13-29(4)21(7-8-22(29)25(23)26(20)34)18(2)11-16-31-27(35)32-38(36,37)28(3)14-15-28/h18-26,33-34H,6-17H2,1-5H3,(H2,31,32,35)/t18-,19-,20-,21-,22+,23+,24+,25+,26-,29-,30-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350738
PNG
(US10208081, Example 47)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H57N3O5S/c1-5-23-27-20-22(36)12-15-32(27,4)26-13-16-31(3)24(10-11-25(31)28(26)29(23)37)21(2)14-17-33-30(38)34-41(39,40)35-18-8-6-7-9-19-35/h21-29,36-37H,5-20H2,1-4H3,(H2,33,34,38)/t21-,22-,23-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
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Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350739
PNG
(US10208081, Example 48)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)N4CCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C30H53N3O5S/c1-5-21-25-18-20(34)10-13-30(25,4)24-11-14-29(3)22(8-9-23(29)26(24)27(21)35)19(2)12-15-31-28(36)32-39(37,38)33-16-6-7-17-33/h19-27,34-35H,5-18H2,1-4H3,(H2,31,32,36)/t19-,20-,21-,22-,23+,24+,25+,26+,27-,29-,30-/m1/s1
PDB
MMDB

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US Patent
n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350740
PNG
(US10208081, Example 49)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4ccncc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C31H49N3O5S/c1-5-22-26-18-20(35)8-13-31(26,4)25-9-14-30(3)23(6-7-24(30)27(25)28(22)36)19(2)10-17-33-29(37)34-40(38,39)21-11-15-32-16-12-21/h11-12,15-16,19-20,22-28,35-36H,5-10,13-14,17-18H2,1-4H3,(H2,33,34,37)/t19-,20-,22-,23-,24+,25+,26+,27+,28-,30-,31-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350741
PNG
(US10208081, Example 50)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(OC(F)(F)F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C33H49F3N2O6S/c1-5-23-27-17-20(39)11-14-32(27,4)26-12-15-31(3)24(9-10-25(31)28(26)29(23)40)19(2)13-16-37-30(41)38-45(42,43)22-8-6-7-21(18-22)44-33(34,35)36/h6-8,18-20,23-29,39-40H,5,9-17H2,1-4H3,(H2,37,38,41)/t19-,20-,23-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
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n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM350742
PNG
(US10208081, Example 51)
Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)NS(=O)(=O)c4cccc(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Show InChI InChI=1S/C32H49FN2O5S/c1-5-23-27-18-21(36)11-14-32(27,4)26-12-15-31(3)24(9-10-25(31)28(26)29(23)37)19(2)13-16-34-30(38)35-41(39,40)22-8-6-7-20(33)17-22/h6-8,17,19,21,23-29,36-37H,5,9-16,18H2,1-4H3,(H2,34,35,38)/t19-,21-,23-,24-,25+,26+,27+,28+,29-,31-,32-/m1/s1
PDB
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UniProtKB/SwissProt

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US Patent
n/an/an/an/a<100n/an/an/an/a



Enanta Pharmaceuticals, Inc.

US Patent


Assay Description
The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...

US Patent US10208081 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NH9
More data for this
Ligand-Target Pair
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