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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 = 'BDBM50375756'   
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))
BDBM50375756
PNG
(CHEMBL408908)
Show SMILES Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O
Show InChI InChI=1S/C21H24F3N5O3/c22-21(23,24)13-2-3-16(25)15(8-13)20(32)27-9-19(31)28-14-5-6-29(11-14)10-12-1-4-18(30)17(26)7-12/h1-4,7-8,14,30H,5-6,9-11,25-26H2,(H,27,32)(H,28,31)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Deltagen Research Laboratories (Former CombiChem, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2b in THP1 cells


Bioorg Med Chem Lett 18: 1869-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.015
BindingDB Entry DOI: 10.7270/Q2W95B2Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50375756
PNG
(CHEMBL408908)
Show SMILES Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O
Show InChI InChI=1S/C21H24F3N5O3/c22-21(23,24)13-2-3-16(25)15(8-13)20(32)27-9-19(31)28-14-5-6-29(11-14)10-12-1-4-18(30)17(26)7-12/h1-4,7-8,14,30H,5-6,9-11,25-26H2,(H,27,32)(H,28,31)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Deltagen Research Laboratories (Former CombiChem, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis


Bioorg Med Chem Lett 18: 1869-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.015
BindingDB Entry DOI: 10.7270/Q2W95B2Q
More data for this
Ligand-Target Pair