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

InChI Key: InChIKey=KSJQOSXAKMGPBK-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 = 50204189   
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))
BDBM50204189
PNG
(CHEMBL247706 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22(30)29-21-14(12-27)10-18(13-4-6-15(24)7-5-13)20(28-21)17-9-8-16(25)11-19(17)26/h4-11H,1-3H3,(H,28,29,30)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/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))
BDBM50204189
PNG
(CHEMBL247706 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22(30)29-21-14(12-27)10-18(13-4-6-15(24)7-5-13)20(28-21)17-9-8-16(25)11-19(17)26/h4-11H,1-3H3,(H,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+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