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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 = 'BDBM50190590'   
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))		BDBM50190590
PNG
(23-N-(carbocyclohexyloxy)-3alpha,7alpha-dihydroxy-...)
Show SMILES [H][C@@]12CCC([C@H](C)CCNC(=O)OC3CCCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
Show InChI InChI=1S/C30H51NO4/c1-19(13-16-31-28(34)35-22-7-5-4-6-8-22)23-9-10-24-27-25(12-15-30(23,24)3)29(2)14-11-21(32)17-20(29)18-26(27)33/h19-27,32-33H,4-18H2,1-3H3,(H,31,34)/t19-,20?,21-,23?,24+,25+,26-,27+,29+,30-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 1.14E+3n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay

J Med Chem 49: 4208-15 (2006)


Article DOI: 10.1021/jm060294k
BindingDB Entry DOI: 10.7270/Q23779H2
More data for this
Ligand-Target Pair