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BDBM50304919 CHEMBL595268::N-(3,4-dimethyl-5-(morpholinosulfonyl)phenyl)-2,2-dimethylhexanamide

SMILES: CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=SCWPZBKWRIIRRA-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50304919   
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))
BDBM50304919
PNG
(CHEMBL595268 | N-(3,4-dimethyl-5-(morpholinosulfon...)
Show SMILES CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-8-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)27(24,25)22-9-11-26-12-10-22/h13-14H,6-12H2,1-5H3,(H,21,23)
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PC cid
PC sid
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Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50304919
PNG
(CHEMBL595268 | N-(3,4-dimethyl-5-(morpholinosulfon...)
Show SMILES CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-8-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)27(24,25)22-9-11-26-12-10-22/h13-14H,6-12H2,1-5H3,(H,21,23)
PDB

NCI pathway
Reactome pathway
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50304919
PNG
(CHEMBL595268 | N-(3,4-dimethyl-5-(morpholinosulfon...)
Show SMILES CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-8-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)27(24,25)22-9-11-26-12-10-22/h13-14H,6-12H2,1-5H3,(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 82n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CB2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair