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SMILES: COc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=BRJYGKRICFKEAO-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 = 50176434   
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))
BDBM50176434
PNG
(CHEMBL201102 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES COc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31)
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PC sid
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Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176434
PNG
(CHEMBL201102 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES COc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair