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BDBM50265742 CHEMBL521737::{1'-[4-(Cycloheptylamino)-6,7-dimethoxyquinazolin-2-yl]-1,4'-bipiperidin-3-yl}methanol

SMILES: COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1

InChI Key: InChIKey=VQVJOORGRHBCAX-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50265742   
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))
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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 assessed as CCL22-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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 assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Bioorg Med Chem 17: 64-73 (2008)


Article DOI: 10.1016/j.bmc.2008.11.020
BindingDB Entry DOI: 10.7270/Q21836BS
More data for this
Ligand-Target Pair