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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 = 'BDBM50219887'   
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))
BDBM50219887
PNG
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-hydroxypro...)
Show SMILES Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C22H26F3N3O3/c1-14-6-7-17(15(2)8-14)10-26-11-19(13-29)28-20(30)12-27-21(31)16-4-3-5-18(9-16)22(23,24)25/h3-9,19,26,29H,10-13H2,1-2H3,(H,27,31)(H,28,30)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3311-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.007
BindingDB Entry DOI: 10.7270/Q2PN96MB
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50219887
PNG
((R)-N-(2-(3-(2,4-dimethylbenzylamino)-1-hydroxypro...)
Show SMILES Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C22H26F3N3O3/c1-14-6-7-17(15(2)8-14)10-26-11-19(13-29)28-20(30)12-27-21(31)16-4-3-5-18(9-16)22(23,24)25/h3-9,19,26,29H,10-13H2,1-2H3,(H,27,31)(H,28,30)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs


Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair