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BDBM50298104 CHEMBL551546::N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-(2-ethylhexyl)pyrimidine-4,6-diamine

SMILES: CCCCC(CC)CNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1

InChI Key: InChIKey=CNPDKRZFFANWGF-MPXHWGBGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50298104   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50298104
PNG
(CHEMBL551546 | N4-((2S,3S)-3-(3-bromophenyl)-4-(4-...)
Show SMILES CCCCC(CC)CNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1
Show InChI InChI=1S/C28H36BrClN4/c1-4-6-8-21(5-2)18-31-27-17-28(33-19-32-27)34-20(3)26(23-9-7-10-24(29)16-23)15-22-11-13-25(30)14-12-22/h7,9-14,16-17,19-21,26H,4-6,8,15,18H2,1-3H3,(H2,31,32,33,34)/t20-,21?,26+/m0/s1
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Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cannabinoid CB1 receptor in Sprague-Dawley rat cerebellar membrane by liquid scintillation spectrometry


Bioorg Med Chem Lett 19: 4692-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.069
BindingDB Entry DOI: 10.7270/Q2PK0G65
More data for this
Ligand-Target Pair