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BDBM50340746 2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(pyridin-4-ylmethyl)-N-((tetrahydrofuran-2-yl)methyl)acetamide::CHEMBL1762701

SMILES: Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CCCO3)Cc3ccncc3)CC2)cc1

InChI Key: InChIKey=YXAPAHXXQYBYMZ-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340746   
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
Mas-related G-protein coupled receptor member X1


(Homo sapiens (Human))
BDBM50340746
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CCCO3)Cc3ccncc3)CC2)cc1
Show InChI InChI=1/C29H36ClN7O2/c30-25-5-3-23(4-6-25)9-13-32-29-33-14-10-27(34-29)36-17-15-35(16-18-36)22-28(38)37(21-26-2-1-19-39-26)20-24-7-11-31-12-8-24/h3-8,10-12,14,26H,1-2,9,13,15-22H2,(H,32,33,34)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair