Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50169821'   

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))	BDBM50169821 (3-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-...) Show SMILES COC(=O)C1C2CCC(C2)C1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 Show InChI InChI=1S/C25H28N4O3/c1-15-10-12-27-24(23(15)29-20(30)9-11-26)28-14-16-3-5-17(6-4-16)21-18-7-8-19(13-18)22(21)25(31)32-2/h3-6,10,12,18-19,21-22H,7-9,13-14H2,1-2H3,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
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