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BDBM35878 5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide::5,6-bis-(4-chloro-phenyl)-pyrazine-2-carboxylicacid cyclohexylamide::5,6-diaryl-pyrazine-2-amide derivative, 6d::CHEMBL227841

SMILES: Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=FDSVRRAVMKJSOK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 35878   
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


(Homo sapiens (Human))
BDBM35878
PNG
(5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...)
Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H21Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16.6n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 479-82 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.125
BindingDB Entry DOI: 10.7270/Q2X34XKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35878
PNG
(5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...)
Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H21Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/a7.430



AstraZeneca



Assay Description
A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...


Bioorg Med Chem 15: 4077-84 (2007)


Article DOI: 10.1016/j.bmc.2007.03.075
BindingDB Entry DOI: 10.7270/Q2028PW8
More data for this
Ligand-Target Pair