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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 = 'BDBM50268368'   
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))
BDBM50268368
PNG
(CHEMBL496630 | N-(2-((1S,2R,4R)-4-(methylamino)-2-...)
Show SMILES CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C25H30F3N3O4S2/c1-29-19-6-11-22(17(13-19)15-37(34,35)21-9-7-20(36-2)8-10-21)31-23(32)14-30-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,29H,6,11,13-15H2,1-2H3,(H,30,33)(H,31,32)/t17-,19+,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay


Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50268368
PNG
(CHEMBL496630 | N-(2-((1S,2R,4R)-4-(methylamino)-2-...)
Show SMILES CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 |r|
Show InChI InChI=1S/C25H30F3N3O4S2/c1-29-19-6-11-22(17(13-19)15-37(34,35)21-9-7-20(36-2)8-10-21)31-23(32)14-30-24(33)16-4-3-5-18(12-16)25(26,27)28/h3-5,7-10,12,17,19,22,29H,6,11,13-15H2,1-2H3,(H,30,33)(H,31,32)/t17-,19+,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay


Bioorg Med Chem Lett 19: 3418-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.041
BindingDB Entry DOI: 10.7270/Q27W6C3X
More data for this
Ligand-Target Pair