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BDBM50216434 CHEMBL245686::dimethyl-(tetrahydro-pyran-4-yl)-{4-[(E)-3-(4'-trifluoromethyl-biphenyl-4-yl)-acryloylamino]-benzyl}-ammonium

SMILES: C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1

InChI Key: InChIKey=NLDVDIXLYWOKRA-FRKPEAEDSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50216434   
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))
BDBM50216434
PNG
(CHEMBL245686 | dimethyl-(tetrahydro-pyran-4-yl)-{4...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1
Show InChI InChI=1S/C30H31F3N2O2/c1-35(2,28-17-19-37-20-18-28)21-23-5-14-27(15-6-23)34-29(36)16-7-22-3-8-24(9-4-22)25-10-12-26(13-11-25)30(31,32)33/h3-16,28H,17-21H2,1-2H3/p+1/b16-7+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells


Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair