Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50243226'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50243226 (CHEMBL486052 | N-(2-Benzoyl-phenyl)-4-{3-[3-(3,3-d...) Show SMILES FC1(F)CCCN(CCCNC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)C1 Show InChI InChI=1S/C28H30F2N4O4S/c29-28(30)16-6-18-34(20-28)19-7-17-31-27(36)32-22-12-14-23(15-13-22)39(37,38)33-25-11-5-4-10-24(25)26(35)21-8-2-1-3-9-21/h1-5,8-15,33H,6-7,16-20H2,(H2,31,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor				J Med Chem 51: 3946-52 (2008) Article DOI: 10.1021/jm800199h BindingDB Entry DOI: 10.7270/Q2JH3N33
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