BindingDB logo
myBDB logout

BDBM50207239 CHEMBL3907898

SMILES: CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1

InChI Key: InChIKey=NMDJLDALLMDAOQ-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50207239   
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))
BDBM50207239
PNG
(CHEMBL3907898)
Show SMILES CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50207239
PNG
(CHEMBL3907898)
Show SMILES CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50207239
PNG
(CHEMBL3907898)
Show SMILES CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50207239
PNG
(CHEMBL3907898)
Show SMILES CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair