BDBM50169831 2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-piperidin-1-yl)-benzoic acid methyl ester::CHEMBL182785

SMILES: COC(=O)c1ccccc1N1CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1

InChI Key: InChIKey=JHIJYNMCRAMFML-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169831   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50169831 (2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-...) Show SMILES COC(=O)c1ccccc1N1CCC(CNc2nccc(C)c2NC(=O)CC#N)CC1 Show InChI InChI=1S/C23H27N5O3/c1-16-8-12-25-22(21(16)27-20(29)7-11-24)26-15-17-9-13-28(14-10-17)19-6-4-3-5-18(19)23(30)31-2/h3-6,8,12,17H,7,9-10,13-15H2,1-2H3,(H,25,26)(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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