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BDBM50184186 4'-{[5-(4-cyclobutylmethyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3'-difluoro-biphenyl-2-carboxylic acid methyl ester::CHEMBL206519

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC3CCC3)CC2)c(F)c1

InChI Key: InChIKey=WPSZFFRTRLFRLY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184186   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50184186
PNG
(4'-{[5-(4-cyclobutylmethyl-piperazine-1-carbonyl)-...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC3CCC3)CC2)c(F)c1
Show InChI InChI=1S/C30H32F2N4O3/c1-39-30(38)28-24(6-3-7-25(28)31)21-8-9-22(26(32)16-21)17-33-27-11-10-23(18-34-27)29(37)36-14-12-35(13-15-36)19-20-4-2-5-20/h3,6-11,16,18,20H,2,4-5,12-15,17,19H2,1H3,(H,33,34)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/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