null

SMILES: OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl

InChI Key: InChIKey=CEDVQQBJHWLXPI-BGYRXZFFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185724   

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))	BDBM50185724 (CHEMBL3823491) Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.14,9.9,(10.79,-2.28,;9.63,-1.88,;9.4,-.67,;8.46,-2.88,;8.74,-4.39,;7.57,-5.39,;6.12,-4.88,;5.84,-3.38,;7.01,-2.37,;4.51,-2.61,;3.02,-3,;2.67,-1.54,;4.11,-1.12,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-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,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C30H24Cl3NO4/c31-24-5-2-6-25(32)27(24)28-23(29(38-34-28)16-7-8-16)15-37-21-9-10-22(26(33)14-21)20-12-19(13-20)17-3-1-4-18(11-17)30(35)36/h1-6,9-11,14,16,19-20H,7-8,12-13,15H2,(H,35,36)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	77	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))	BDBM50185724 (CHEMBL3823491) Show SMILES OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.14,9.9,(10.79,-2.28,;9.63,-1.88,;9.4,-.67,;8.46,-2.88,;8.74,-4.39,;7.57,-5.39,;6.12,-4.88,;5.84,-3.38,;7.01,-2.37,;4.51,-2.61,;3.02,-3,;2.67,-1.54,;4.11,-1.12,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-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,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C30H24Cl3NO4/c31-24-5-2-6-25(32)27(24)28-23(29(38-34-28)16-7-8-16)15-37-21-9-10-22(26(33)14-21)20-12-19(13-20)17-3-1-4-18(11-17)30(35)36/h1-6,9-11,14,16,19-20H,7-8,12-13,15H2,(H,35,36)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	92	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