BDBM50156370 CHEMBL3793436

SMILES: COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1

InChI Key: InChIKey=ZRQBEFYILDBORB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50156370   

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
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50156370 (CHEMBL3793436) Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FN4O3S/c1-31(2,22-5-14-27(37-3)28(19-22)38-4)29-20-34-30(36(29)25-8-6-23(32)7-9-25)40-18-17-39-26-12-10-24(11-13-26)35-16-15-33-21-35/h5-16,19-21H,17-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay				ACS Med Chem Lett 7: 51-5 (2016) BindingDB Entry DOI: 10.7270/Q2125VJ1
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50156370 (CHEMBL3793436) Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FN4O3S/c1-31(2,22-5-14-27(37-3)28(19-22)38-4)29-20-34-30(36(29)25-8-6-23(32)7-9-25)40-18-17-39-26-12-10-24(11-13-26)35-16-15-33-21-35/h5-16,19-21H,17-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.0570	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay				ACS Med Chem Lett 7: 51-5 (2016) BindingDB Entry DOI: 10.7270/Q2125VJ1
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50156370 (CHEMBL3793436) Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FN4O3S/c1-31(2,22-5-14-27(37-3)28(19-22)38-4)29-20-34-30(36(29)25-8-6-23(32)7-9-25)40-18-17-39-26-12-10-24(11-13-26)35-16-15-33-21-35/h5-16,19-21H,17-18H2,1-4H3	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	6.40E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin)				ACS Med Chem Lett 7: 51-5 (2016) BindingDB Entry DOI: 10.7270/Q2125VJ1
					More data for this Ligand-Target Pair