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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50197999'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197999
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.12|
Show InChI InChI=1S/C34H42Cl2N4O2/c1-5-39(6-2)16-9-12-30(18-24(3)4)37-33(41)15-17-42-34-23-32(27-19-28(35)22-29(36)20-27)38-40(34)31-14-13-25-10-7-8-11-26(25)21-31/h7-8,10-11,13-14,19-24,30H,5-6,9,12,15-18H2,1-4H3,(H,37,41)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 74.0n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of CCR2


Eur J Med Chem 45: 3394-406 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197999
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.12|
Show InChI InChI=1S/C34H42Cl2N4O2/c1-5-39(6-2)16-9-12-30(18-24(3)4)37-33(41)15-17-42-34-23-32(27-19-28(35)22-29(36)20-27)38-40(34)31-14-13-25-10-7-8-11-26(25)21-31/h7-8,10-11,13-14,19-24,30H,5-6,9,12,15-18H2,1-4H3,(H,37,41)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50197999
PNG
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)
Show SMILES CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.12|
Show InChI InChI=1S/C34H42Cl2N4O2/c1-5-39(6-2)16-9-12-30(18-24(3)4)37-33(41)15-17-42-34-23-32(27-19-28(35)22-29(36)20-27)38-40(34)31-14-13-25-10-7-8-11-26(25)21-31/h7-8,10-11,13-14,19-24,30H,5-6,9,12,15-18H2,1-4H3,(H,37,41)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes


Bioorg Med Chem Lett 17: 807-13 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.060
BindingDB Entry DOI: 10.7270/Q2P84BJD
More data for this
Ligand-Target Pair