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SMILES: Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1

InChI Key: InChIKey=SVXRSXKESZVKBA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50204200   
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 2


(Homo sapiens (Human))
BDBM50204200
PNG
(CHEMBL428579 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H12Cl3F2N3O/c26-16-4-1-13(2-5-16)19-9-15(12-31)24(32-23(19)18-7-6-17(27)11-20(18)28)33-25(34)14-3-8-21(29)22(30)10-14/h1-11H,(H,32,33,34)
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 315n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204200
PNG
(CHEMBL428579 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H12Cl3F2N3O/c26-16-4-1-13(2-5-16)19-9-15(12-31)24(32-23(19)18-7-6-17(27)11-20(18)28)33-25(34)14-3-8-21(29)22(30)10-14/h1-11H,(H,32,33,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/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