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BDBM50219855 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclopentylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide::CHEMBL247207

SMILES: Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCCC2)c(C)c1

InChI Key: InChIKey=GKHDPJJGUXXRIQ-QHCPKHFHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219855   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50219855
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cyclopent...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC2CCCC2)c(C)c1
Show InChI InChI=1S/C27H33F3N4O3/c1-17-10-11-20(18(2)12-17)14-31-15-23(26(37)33-22-8-3-4-9-22)34-24(35)16-32-25(36)19-6-5-7-21(13-19)27(28,29)30/h5-7,10-13,22-23,31H,3-4,8-9,14-16H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/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