Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50419915'   

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))	BDBM50419915 (CHEMBL1956865) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCCC4)CC3)c2n1 Show InChI InChI=1S/C33H41Cl2N4O5S/c1-23-21-24(2)36-31-25(23)7-6-8-28(31)44-22-26-27(34)9-10-29(30(26)35)45(41,42)37-33(11-19-43-20-12-33)32(40)38-13-17-39(18-14-38)15-4-3-5-16-39/h6-10,21,37H,3-5,11-20,22H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	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))	BDBM50419915 (CHEMBL1956865) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCCC4)CC3)c2n1 Show InChI InChI=1S/C33H41Cl2N4O5S/c1-23-21-24(2)36-31-25(23)7-6-8-28(31)44-22-26-27(34)9-10-29(30(26)35)45(41,42)37-33(11-19-43-20-12-33)32(40)38-13-17-39(18-14-38)15-4-3-5-16-39/h6-10,21,37H,3-5,11-20,22H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.63	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