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BDBM50320193 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-2H-pyrano[2,3-b]pyridin-4(3H)-one::CHEMBL1084602

SMILES: CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl

InChI Key: InChIKey=VGGJZHQRPQJWBN-UHFFFAOYSA-N

Data: 2 IC50

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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 = 50320193   
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))
BDBM50320193
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl...)
Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320193
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl...)
Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair