BDBM50185703 CHEMBL3823070

SMILES: OC(=O)c1ccc(cn1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl

InChI Key: InChIKey=WIPJMZDAHAGGLW-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50185703   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM50185703 (CHEMBL3823070) Show SMILES OC(=O)c1ccc(cn1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C28H21Cl3N2O4/c29-21-2-1-3-22(30)25(21)26-20(27(37-33-26)14-4-5-14)13-36-16-7-8-17(23(31)10-16)19-11-18(19)15-6-9-24(28(34)35)32-12-15/h1-3,6-10,12,14,18-19H,4-5,11,13H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...				Bioorg Med Chem Lett 26: 3746-53 (2016) BindingDB Entry DOI: 10.7270/Q2C24ZB9
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50185703 (CHEMBL3823070) Show SMILES OC(=O)c1ccc(cn1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C28H21Cl3N2O4/c29-21-2-1-3-22(30)25(21)26-20(27(37-33-26)14-4-5-14)13-36-16-7-8-17(23(31)10-16)19-11-18(19)15-6-9-24(28(34)35)32-12-15/h1-3,6-10,12,14,18-19H,4-5,11,13H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...				Bioorg Med Chem Lett 26: 3746-53 (2016) BindingDB Entry DOI: 10.7270/Q2C24ZB9
					More data for this Ligand-Target Pair