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BDBM50320189 CHEMBL1083000::rac-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2,4-trimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-ol

SMILES: CC1(C)CC(C)(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=DNIMVDXXSHCQLS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320189   
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))
BDBM50320189
PNG
(CHEMBL1083000 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(C)(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3NO2/c1-22(2)12-23(3,28)18-11-17(13-4-6-14(24)7-5-13)20(27-21(18)29-22)16-9-8-15(25)10-19(16)26/h4-11,28H,12H2,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.92E+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))
BDBM50320189
PNG
(CHEMBL1083000 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(C)(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3NO2/c1-22(2)12-23(3,28)18-11-17(13-4-6-14(24)7-5-13)20(27-21(18)29-22)16-9-8-15(25)10-19(16)26/h4-11,28H,12H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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