Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50074991'   

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)	BDBM50074991 ((E)-Penta-2,4-dienoic acid ({[2,4-dichloro-3-(2-me...) Show SMILES CN(C(=O)CNC(=O)\C=C\C=C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C23H21Cl2N3O3S/c1-4-5-9-20(29)26-12-21(30)28(3)17-11-10-16(24)15(22(17)25)13-31-18-7-6-8-19-23(18)27-14(2)32-19/h4-11H,1,12-13H2,2-3H3,(H,26,29)/b9-5+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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 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
B2 bradykinin receptor (Cavia porcellus)	BDBM50074991 ((E)-Penta-2,4-dienoic acid ({[2,4-dichloro-3-(2-me...) Show SMILES CN(C(=O)CNC(=O)\C=C\C=C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C23H21Cl2N3O3S/c1-4-5-9-20(29)26-12-21(30)28(3)17-11-10-16(24)15(22(17)25)13-31-18-7-6-8-19-23(18)27-14(2)32-19/h4-11H,1,12-13H2,2-3H3,(H,26,29)/b9-5+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	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)	BDBM50074991 ((E)-Penta-2,4-dienoic acid ({[2,4-dichloro-3-(2-me...) Show SMILES CN(C(=O)CNC(=O)\C=C\C=C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C23H21Cl2N3O3S/c1-4-5-9-20(29)26-12-21(30)28(3)17-11-10-16(24)15(22(17)25)13-31-18-7-6-8-19-23(18)27-14(2)32-19/h4-11H,1,12-13H2,2-3H3,(H,26,29)/b9-5+	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	260	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