Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50074983'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
B2 bradykinin receptor (Cavia porcellus)	BDBM50074983 ((E)-N-({[2-Chloro-4-methoxy-3-(2-methyl-quinolin-8...) Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(Cl)c1COc1cccc2ccc(C)nc12 Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(30(21)37-19)42-18-23-25(41-3)15-14-24(29(23)32)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074983 ((E)-N-({[2-Chloro-4-methoxy-3-(2-methyl-quinolin-8...) Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(Cl)c1COc1cccc2ccc(C)nc12 Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(30(21)37-19)42-18-23-25(41-3)15-14-24(29(23)32)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074983 ((E)-N-({[2-Chloro-4-methoxy-3-(2-methyl-quinolin-8...) Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(Cl)c1COc1cccc2ccc(C)nc12 Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(30(21)37-19)42-18-23-25(41-3)15-14-24(29(23)32)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair