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BDBM50216449 CHEMBL396571::N-(4-(3-(3-fluorophenyl)acrylamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium

SMILES: C[N+](C)(Cc1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1)C1CCOCC1

InChI Key: InChIKey=CKDJUYZJEQUUGO-DHZHZOJOSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50216449   
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))
BDBM50216449
PNG
(CHEMBL396571 | N-(4-(3-(3-fluorophenyl)acrylamido)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C23H27FN2O2/c1-26(2,22-12-14-28-15-13-22)17-19-6-9-21(10-7-19)25-23(27)11-8-18-4-3-5-20(24)16-18/h3-11,16,22H,12-15,17H2,1-2H3/p+1/b11-8+
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Similars

Article
PubMed
n/an/a 1.81E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

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