BDBM50184210 4'-{[5-(4-cyclobutyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3'-difluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL204562

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)C2CCC2)c(F)c1

InChI Key: InChIKey=CBOBIYYERKRFTQ-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 = 50184210   

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))	BDBM50184210 (4'-{[5-(4-cyclobutyl-piperazine-1-carbonyl)-pyridi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)C2CCC2)c(F)c1 Show InChI InChI=1S/C29H30F2N4O3/c1-38-29(37)27-23(6-3-7-24(27)30)19-8-9-20(25(31)16-19)17-32-26-11-10-21(18-33-26)28(36)35-14-12-34(13-15-35)22-4-2-5-22/h3,6-11,16,18,22H,2,4-5,12-15,17H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	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