Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50169835'   

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))	BDBM50169835 (2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-...) Show SMILES COC(=O)c1ccccc1C1CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1 |(6.75,-7.03,;5.67,-5.93,;4.32,-6.7,;2.99,-5.93,;4.32,-8.24,;5.67,-9.01,;5.67,-10.55,;4.32,-11.32,;3.01,-10.55,;3.01,-9.01,;1.68,-8.24,;.33,-9.01,;-1,-8.24,;-1,-6.7,;-2.3,-5.93,;-2.3,-4.39,;-3.64,-3.62,;-4.97,-4.39,;-6.32,-3.62,;-6.32,-2.08,;-4.97,-1.31,;-4.99,.23,;-3.64,-2.08,;-2.3,-1.31,;-2.31,.25,;-3.68,1,;-1,1.02,;.35,.26,;1.69,-.5,;.33,-5.93,;1.66,-6.7,)| Show InChI InChI=1S/C24H28N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-6,12,14,17-18H,7-11,15H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	385	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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