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SMILES: Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=ZODUEYNVTIAXJD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50204198   
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))
BDBM50204198
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
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PC cid
PC sid
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Article
PubMed
n/an/a 154n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204198
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair