Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50126255'   

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))	BDBM50126255 (2-[5-(3-Acetylamino-benzoyl)-1-methyl-1H-pyrrol-2-...) Show SMILES CN(C(=O)Cc1ccc(C(=O)c2cccc(NC(C)=O)c2)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl Show InChI InChI=1S/C34H30Cl2N4O4/c1-20-11-12-22-7-6-10-30(33(22)37-20)44-19-26-27(35)14-16-28(32(26)36)40(4)31(42)18-25-13-15-29(39(25)3)34(43)23-8-5-9-24(17-23)38-21(2)41/h5-17H,18-19H2,1-4H3,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human bradykinin receptor B2				Bioorg Med Chem Lett 13: 1341-4 (2003) BindingDB Entry DOI: 10.7270/Q2HM57T1
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