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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 = 'BDBM50391015'   
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))
BDBM50391015
PNG
(CHEMBL2088380)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C28H32F3N5O3S/c1-17(2)36(3)20-9-12-23(19(13-20)16-40(38,39)21-10-7-18(15-32)8-11-21)34-26(37)14-25-33-24-6-4-5-22(27(24)35-25)28(29,30)31/h4-8,10-11,17,19-20,23H,9,12-14,16H2,1-3H3,(H,33,35)(H,34,37)/t19-,20+,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to CCR2


Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50391015
PNG
(CHEMBL2088380)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(c3[nH]2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C28H32F3N5O3S/c1-17(2)36(3)20-9-12-23(19(13-20)16-40(38,39)21-10-7-18(15-32)8-11-21)34-26(37)14-25-33-24-6-4-5-22(27(24)35-25)28(29,30)31/h4-8,10-11,17,19-20,23H,9,12-14,16H2,1-3H3,(H,33,35)(H,34,37)/t19-,20+,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin


Bioorg Med Chem Lett 22: 6181-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.002
BindingDB Entry DOI: 10.7270/Q2F47Q62
More data for this
Ligand-Target Pair