BindingDB logo
myBDB logout

null

SMILES: OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3C(F)(F)F)c3cc(Br)ccc23)cc1

InChI Key: InChIKey=YKJLIRDMOLYCML-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225995   
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))		BDBM225995
PNG
(FXR_88)
Show SMILES OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3C(F)(F)F)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C27H22BrF3N2O5S/c28-19-9-10-22-21(15-19)26(25(36)33(22)16-17-5-7-18(8-6-17)24(34)35)11-13-32(14-12-26)39(37,38)23-4-2-1-3-20(23)27(29,30)31/h1-10,15H,11-14,16H2,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 540n/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)


BindingDB Entry DOI: 10.7270/Q2MC8XWV
More data for this
Ligand-Target Pair