Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.4 BDBM50169825

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50169825 (4'-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-yl...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 Show InChI InChI=1S/C24H22N4O3/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/h3-10,12,14H,11,15H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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
					More data for this Ligand-Target Pair