Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50419904'   

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 (Homo sapiens (Human))	BDBM50419904 (CHEMBL1956852) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C38H52Cl2N5O6S/c1-27-25-28(2)41-36-29(27)11-10-12-32(36)51-26-30-31(39)14-15-33(35(30)40)52(48,49)42-38(16-23-50-24-17-38)37(47)44-20-18-43(19-21-44)34(46)13-8-6-7-9-22-45(3,4)5/h10-12,14-15,25,42H,6-9,13,16-24,26H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50419904 (CHEMBL1956852) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C38H52Cl2N5O6S/c1-27-25-28(2)41-36-29(27)11-10-12-32(36)51-26-30-31(39)14-15-33(35(30)40)52(48,49)42-38(16-23-50-24-17-38)37(47)44-20-18-43(19-21-44)34(46)13-8-6-7-9-22-45(3,4)5/h10-12,14-15,25,42H,6-9,13,16-24,26H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B2 receptor expressed in dhfr-deficient CHO cells assessed as inhibition of bradykinin-induced inositol monop...				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair