BDBM50184211 4'-{[5-(4-allyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3'-difluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL208241

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

InChI Key: InChIKey=WVRUPZZSWRCDMT-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 = 50184211   

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))	BDBM50184211 (4'-{[5-(4-allyl-piperazine-1-carbonyl)-pyridin-2-y...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC=C)CC2)c(F)c1 Show InChI InChI=1S/C28H28F2N4O3/c1-3-11-33-12-14-34(15-13-33)27(35)21-9-10-25(32-18-21)31-17-20-8-7-19(16-24(20)30)22-5-4-6-23(29)26(22)28(36)37-2/h3-10,16,18H,1,11-15,17H2,2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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