Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50169836'   

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))	BDBM50169836 (3-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-...) Show SMILES COC(=O)C1C2CCC(CC2)C1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |(28.94,-1.68,;27.46,-1.28,;26.13,-2.07,;24.78,-1.3,;26.13,-3.61,;27.47,-4.38,;25.99,-4.78,;26.29,-5.51,;24.81,-5.92,;26.13,-6.68,;27.46,-5.91,;24.81,-4.38,;23.48,-3.61,;22.13,-4.38,;20.8,-3.61,;20.81,-2.07,;19.32,-1.67,;19.32,-.12,;17.83,.27,;16.49,-.5,;15.17,.27,;15.17,1.81,;16.49,2.6,;16.48,4.13,;17.83,1.83,;19.17,2.6,;19.15,4.14,;17.82,4.92,;20.49,4.92,;21.83,4.16,;23.15,3.39,;22.13,-1.29,;23.47,-2.06,)| Show InChI InChI=1S/C26H30N4O3/c1-16-12-14-28-25(24(16)30-21(31)11-13-27)29-15-17-3-5-18(6-4-17)22-19-7-9-20(10-8-19)23(22)26(32)33-2/h3-6,12,14,19-20,22-23H,7-11,15H2,1-2H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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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