BDBM50184171 4'-{[5-(4-benzyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3'-difluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL426681

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1

InChI Key: InChIKey=AQTHFBFIIZVTTQ-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 = 50184171   

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))	BDBM50184171 (4'-{[5-(4-benzyl-piperazine-1-carbonyl)-pyridin-2-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(Cc3ccccc3)CC2)c(F)c1 Show InChI InChI=1S/C32H30F2N4O3/c1-41-32(40)30-26(8-5-9-27(30)33)23-10-11-24(28(34)18-23)19-35-29-13-12-25(20-36-29)31(39)38-16-14-37(15-17-38)21-22-6-3-2-4-7-22/h2-13,18,20H,14-17,19,21H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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