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BDBM350718 US10208081, Example 26

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

InChI Key: InChIKey=XYUDNGANLZFVHE-ASSXYKMJSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350718   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
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