BDBM50184178 3,3'-difluoro-4'-({5-[4-(2-fluoro-ethyl)-piperazine-1-carbonyl]-pyridin-2-ylamino}-methyl)-biphenyl-2-carboxylic acid methyl ester::CHEMBL382228

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CCF)CC2)c(F)c1

InChI Key: InChIKey=HWAYQVLYHKHIPR-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 = 50184178   

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))	BDBM50184178 (3,3'-difluoro-4'-({5-[4-(2-fluoro-ethyl)-piperazin...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CCF)CC2)c(F)c1 Show InChI InChI=1S/C27H27F3N4O3/c1-37-27(36)25-21(3-2-4-22(25)29)18-5-6-19(23(30)15-18)16-31-24-8-7-20(17-32-24)26(35)34-13-11-33(10-9-28)12-14-34/h2-8,15,17H,9-14,16H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair