BDBM50165831 4'-{[3-(2-Cyano-acetylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester::CHEMBL196698

SMILES: COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC#N)cc1

InChI Key: InChIKey=VKNGHGBRYLNJDI-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 = 50165831   

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))	BDBM50165831 (4'-{[3-(2-Cyano-acetylamino)-pyridin-2-ylamino]-me...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC#N)cc1 Show InChI InChI=1S/C23H20N4O3/c1-30-23(29)19-6-3-2-5-18(19)17-10-8-16(9-11-17)15-26-22-20(7-4-14-25-22)27-21(28)12-13-24/h2-11,14H,12,15H2,1H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair