null

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=LFPOULBZNPCWSF-WNLMNSNFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336397   

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))	BDBM50336397 (CHEMBL1668251 | trans-2-(4-((S)-2-(2-(4-chlorophen...) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:13.21,4.3,wD:7.10,(7.34,-4.5,;8.68,-3.75,;8.7,-2.21,;10.01,-4.53,;11.35,-3.78,;11.37,-2.23,;12.7,-1.48,;14.03,-2.27,;14.02,-3.8,;12.68,-4.56,;15.37,-1.51,;16.7,-2.29,;16.69,-3.83,;18.04,-1.53,;19.36,-2.31,;19.34,-3.85,;20.66,-4.63,;22.01,-3.88,;22.02,-2.34,;20.69,-1.55,;18.05,.01,;18.95,1.27,;18.03,2.52,;16.56,2.03,;15.23,2.79,;13.9,2.02,;12.56,2.79,;13.89,.48,;12.56,-.29,;15.23,-.29,;16.57,.48,;20.49,1.28,;21.27,-.05,;22.8,-.04,;23.57,1.3,;25.11,1.31,;22.78,2.63,;21.25,2.62,)| Show InChI InChI=1S/C29H32ClF2N3O3/c30-20-10-8-19(9-11-20)28-34-24-15-22(31)23(32)16-25(24)35(28)27(18-4-2-1-3-5-18)29(38)33-21-12-6-17(7-13-21)14-26(36)37/h8-11,15-18,21,27H,1-7,12-14H2,(H,33,38)(H,36,37)/t17-,21-,27-/m0/s1	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	5.00E+3	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
Bile acid receptor (Homo sapiens (Human))	BDBM50336397 (CHEMBL1668251 | trans-2-(4-((S)-2-(2-(4-chlorophen...) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:13.21,4.3,wD:7.10,(7.34,-4.5,;8.68,-3.75,;8.7,-2.21,;10.01,-4.53,;11.35,-3.78,;11.37,-2.23,;12.7,-1.48,;14.03,-2.27,;14.02,-3.8,;12.68,-4.56,;15.37,-1.51,;16.7,-2.29,;16.69,-3.83,;18.04,-1.53,;19.36,-2.31,;19.34,-3.85,;20.66,-4.63,;22.01,-3.88,;22.02,-2.34,;20.69,-1.55,;18.05,.01,;18.95,1.27,;18.03,2.52,;16.56,2.03,;15.23,2.79,;13.9,2.02,;12.56,2.79,;13.89,.48,;12.56,-.29,;15.23,-.29,;16.57,.48,;20.49,1.28,;21.27,-.05,;22.8,-.04,;23.57,1.3,;25.11,1.31,;22.78,2.63,;21.25,2.62,)| Show InChI InChI=1S/C29H32ClF2N3O3/c30-20-10-8-19(9-11-20)28-34-24-15-22(31)23(32)16-25(24)35(28)27(18-4-2-1-3-5-18)29(38)33-21-12-6-17(7-13-21)14-26(36)37/h8-11,15-18,21,27H,1-7,12-14H2,(H,33,38)(H,36,37)/t17-,21-,27-/m0/s1	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	610	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