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SMILES: Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1

InChI Key: InChIKey=JQUXVCVKPJKGRX-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 = 50204203   
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))
BDBM50204203
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyrimidin...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1
Show InChI InChI=1S/C22H12Cl2N4/c23-17-7-5-14(6-8-17)19-9-15(10-25)21(16-11-26-13-27-12-16)28-22(19)18-3-1-2-4-20(18)24/h1-9,11-13H
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.30E+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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204203
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyrimidin...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1
Show InChI InChI=1S/C22H12Cl2N4/c23-17-7-5-14(6-8-17)19-9-15(10-25)21(16-11-26-13-27-12-16)28-22(19)18-3-1-2-4-20(18)24/h1-9,11-13H
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/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