Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50074989'   

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)	BDBM50074989 ((E)-N-({[2,4-Dichloro-3-(2-phenyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(nc23)-c2ccccc2)c1Cl Show InChI InChI=1S/C33H27Cl2N3O3S/c1-21-11-13-22(14-12-21)15-18-29(39)36-19-30(40)38(2)26-17-16-25(34)24(31(26)35)20-41-27-9-6-10-28-32(27)37-33(42-28)23-7-4-3-5-8-23/h3-18H,19-20H2,1-2H3,(H,36,39)/b18-15+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	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)	BDBM50074989 ((E)-N-({[2,4-Dichloro-3-(2-phenyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(nc23)-c2ccccc2)c1Cl Show InChI InChI=1S/C33H27Cl2N3O3S/c1-21-11-13-22(14-12-21)15-18-29(39)36-19-30(40)38(2)26-17-16-25(34)24(31(26)35)20-41-27-9-6-10-28-32(27)37-33(42-28)23-7-4-3-5-8-23/h3-18H,19-20H2,1-2H3,(H,36,39)/b18-15+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	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)	BDBM50074989 ((E)-N-({[2,4-Dichloro-3-(2-phenyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(nc23)-c2ccccc2)c1Cl Show InChI InChI=1S/C33H27Cl2N3O3S/c1-21-11-13-22(14-12-21)15-18-29(39)36-19-30(40)38(2)26-17-16-25(34)24(31(26)35)20-41-27-9-6-10-28-32(27)37-33(42-28)23-7-4-3-5-8-23/h3-18H,19-20H2,1-2H3,(H,36,39)/b18-15+	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	2.00E+4	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated 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