BDBM50169833 2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-cyclopent-1-enecarboxylic acid methyl ester::CHEMBL360260

SMILES: COC(=O)C1=C(CCC1)c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1

InChI Key: InChIKey=QYXVQOJEDOEPSR-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 = 50169833   

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))	BDBM50169833 (2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-...) Show SMILES COC(=O)C1=C(CCC1)c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |t:4| Show InChI InChI=1S/C23H24N4O3/c1-15-11-13-25-22(21(15)27-20(28)10-12-24)26-14-16-6-8-17(9-7-16)18-4-3-5-19(18)23(29)30-2/h6-9,11,13H,3-5,10,14H2,1-2H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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