null

SMILES: OC(=O)c1sc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1C(F)(F)F

InChI Key: InChIKey=TXEYKZGDICALBP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336390   

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))	BDBM50336390 (CHEMBL1668254 | rac-2-(2-(2-(4-chlorophenyl)-5,6-d...) Show SMILES OC(=O)c1sc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1C(F)(F)F Show InChI InChI=1S/C26H20ClF5N4O3S/c27-14-8-6-13(7-9-14)22-33-17-10-15(28)16(29)11-18(17)36(22)19(12-4-2-1-3-5-12)23(37)35-25-34-21(26(30,31)32)20(40-25)24(38)39/h6-12,19H,1-5H2,(H,38,39)(H,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50336390 (CHEMBL1668254 | rac-2-(2-(2-(4-chlorophenyl)-5,6-d...) Show SMILES OC(=O)c1sc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1C(F)(F)F Show InChI InChI=1S/C26H20ClF5N4O3S/c27-14-8-6-13(7-9-14)22-33-17-10-15(28)16(29)11-18(17)36(22)19(12-4-2-1-3-5-12)23(37)35-25-34-21(26(30,31)32)20(40-25)24(38)39/h6-12,19H,1-5H2,(H,38,39)(H,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Agonist activity at Gal4-fused human FXR by luciferase reporter gene transactivation assay				Bioorg Med Chem Lett 21: 1134-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N
					More data for this Ligand-Target Pair