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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359028'   
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))
BDBM50359028
PNG
(CHEMBL1924008)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-17-13-22(30-36(33,34)19-6-7-20(26)21(27)14-19)24(29-15-17)35-18-5-3-4-16(12-18)23(32)28-8-11-31-9-1-2-10-31/h3-7,12-15,30H,1-2,8-11H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359028
PNG
(CHEMBL1924008)
Show SMILES Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl3N4O4S/c25-17-13-22(30-36(33,34)19-6-7-20(26)21(27)14-19)24(29-15-17)35-18-5-3-4-16(12-18)23(32)28-8-11-31-9-1-2-10-31/h3-7,12-15,30H,1-2,8-11H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in prese...


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair