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BDBM50320182 7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylspiro[piperidine-4,2'-pyrano[2,3-b]pyridin]-4'(3'H)-one::CHEMBL1086492

SMILES: CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl

InChI Key: InChIKey=VGKXNIJYPLGLEG-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 = 50320182   
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))
BDBM50320182
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...)
Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl
Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 790n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320182
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...)
Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl
Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+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