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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 = 'BDBM225971'   
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))
BDBM225971
PNG
(FXR_63)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C29H25F2N3O5/c30-21-14-23-24(15-22(21)31)34(26(33-23)17-6-8-18(9-7-17)28(36)37)25(16-4-2-1-3-5-16)27(35)32-20-12-10-19(11-13-20)29(38)39/h6-16,25H,1-5H2,(H,32,35)(H,36,37)(H,38,39)/t25-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
D3R
n/an/a 5.60E+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