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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM350733'   
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))		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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PC cid
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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