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BDBM50202534 CHEMBL3939831

SMILES: CCOC(=O)c1cc(sc1N(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1)-c1ccccc1

InChI Key: InChIKey=SDQCDAWLOGBRPA-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50202534   
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))
BDBM50202534
PNG
(CHEMBL3939831)
Show SMILES CCOC(=O)c1cc(sc1N(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1)-c1ccccc1
Show InChI InChI=1S/C33H25NO6S3/c1-2-40-33(35)30-22-31(25-12-4-3-5-13-25)41-32(30)34(42(36,37)28-18-16-23-10-6-8-14-26(23)20-28)43(38,39)29-19-17-24-11-7-9-15-27(24)21-29/h3-22H,2H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50202534
PNG
(CHEMBL3939831)
Show SMILES CCOC(=O)c1cc(sc1N(S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1)-c1ccccc1
Show InChI InChI=1S/C33H25NO6S3/c1-2-40-33(35)30-22-31(25-12-4-3-5-13-25)41-32(30)34(42(36,37)28-18-16-23-10-6-8-14-26(23)20-28)43(38,39)29-19-17-24-11-7-9-15-27(24)21-29/h3-22H,2H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair