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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 = 'BDBM50268426'   
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))
BDBM50268426
PNG
(2-amino-N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H37F3N4O4S2/c1-17(2)35(3)20-6-12-25(18(13-20)16-41(38,39)22-9-7-21(40-4)8-10-22)34-26(36)15-33-27(37)23-14-19(28(29,30)31)5-11-24(23)32/h5,7-11,14,17-18,20,25H,6,12-13,15-16,32H2,1-4H3,(H,33,37)(H,34,36)/t18-,20+,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/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 chemotaxis


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))
BDBM50268426
PNG
(2-amino-N-(2-((1S,2R,4R)-4-(isopropyl(methyl)amino...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)N(C)C(C)C |r|
Show InChI InChI=1S/C28H37F3N4O4S2/c1-17(2)35(3)20-6-12-25(18(13-20)16-41(38,39)22-9-7-21(40-4)8-10-22)34-26(36)15-33-27(37)23-14-19(28(29,30)31)5-11-24(23)32/h5,7-11,14,17-18,20,25H,6,12-13,15-16,32H2,1-4H3,(H,33,37)(H,34,36)/t18-,20+,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/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