BindingDB logo
myBDB logout

null

SMILES: CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1

InChI Key: InChIKey=QMKSMHRVYXAYMI-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 = 50118085   
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))		BDBM50118085
PNG
(CHEMBL3613430)
Show SMILES CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2O2/c1-18(2,3)12-7-10(5-6-15(12)23)22-17(24)16-13(19)8-11(21-4)9-14(16)20/h5-9,21,23H,1-4H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay

Bioorg Med Chem 23: 6427-36 (2015)


BindingDB Entry DOI: 10.7270/Q2GT5Q0T
More data for this
Ligand-Target Pair