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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 = 'BDBM225965'   
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))
BDBM225965
PNG
(FXR_56)
Show SMILES Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3)C(=O)Nc3ccccc3)c2cc1F
Show InChI InChI=1S/C34H29ClF2N4O2/c35-24-15-11-22(12-16-24)32-40-29-19-27(36)28(37)20-30(29)41(32)31(21-7-3-1-4-8-21)34(43)39-26-17-13-23(14-18-26)33(42)38-25-9-5-2-6-10-25/h2,5-6,9-21,31H,1,3-4,7-8H2,(H,38,42)(H,39,43)/t31-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
D3R
n/an/a 2.02E+4n/an/an/an/a7.4n/a



D3R



Assay Description
The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...


D3R 882: (2017)

More data for this
Ligand-Target Pair