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BDBM50244124 CHEMBL459463::N-cycloheptyl-2-(4-cyclohexylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

SMILES: COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCN(CC1)C1CCCCC1

InChI Key: InChIKey=ISQMRAVNYHYMRP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244124   
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
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50244124
PNG
(CHEMBL459463 | N-cycloheptyl-2-(4-cyclohexylpipera...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-14-31(15-17-32)21-12-8-5-9-13-21/h18-21H,3-17H2,1-2H3,(H,28,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair