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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 = 'BDBM50009220'   
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))
BDBM50009220
PNG
(CHEMBL3233186)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA


Bioorg Med Chem Lett 24: 1843-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50009220
PNG
(CHEMBL3233186)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H38F3N3O4S/c1-16(2)31(5)21-9-10-23(19(14-21)15-37(35,36)17(3)4)32-12-11-22(25(32)34)30-24(33)18-7-6-8-20(13-18)26(27,28)29/h6-8,13,16-17,19,21-23H,9-12,14-15H2,1-5H3,(H,30,33)/t19-,21+,22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC


Bioorg Med Chem Lett 24: 1843-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P
More data for this
Ligand-Target Pair