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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 = 'BDBM50401550'   
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))
BDBM50401550
PNG
(CHEMBL2207084)
Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50401550
PNG
(CHEMBL2207084)
Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 0.1% human serum


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50401550
PNG
(CHEMBL2207084)
Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 1% human serum


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair