new BindingDB logo
myBDB logout

BDBM50277196 4-(2-methyl-5-(2-neopentyl-2H-tetrazol-5-yl)phenylsulfonyl)morpholine::CHEMBL515102

SMILES: Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnn(CC(C)(C)C)n1

InChI Key: InChIKey=RCYZPHZEUPMHMV-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 = 50277196   
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))
BDBM50277196
PNG
(4-(2-methyl-5-(2-neopentyl-2H-tetrazol-5-yl)phenyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnn(CC(C)(C)C)n1
Show InChI InChI=1S/C17H25N5O3S/c1-13-5-6-14(16-18-20-22(19-16)12-17(2,3)4)11-15(13)26(23,24)21-7-9-25-10-8-21/h5-6,11H,7-10,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277196
PNG
(4-(2-methyl-5-(2-neopentyl-2H-tetrazol-5-yl)phenyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnn(CC(C)(C)C)n1
Show InChI InChI=1S/C17H25N5O3S/c1-13-5-6-14(16-18-20-22(19-16)12-17(2,3)4)11-15(13)26(23,24)21-7-9-25-10-8-21/h5-6,11H,7-10,12H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277196
PNG
(4-(2-methyl-5-(2-neopentyl-2H-tetrazol-5-yl)phenyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnn(CC(C)(C)C)n1
Show InChI InChI=1S/C17H25N5O3S/c1-13-5-6-14(16-18-20-22(19-16)12-17(2,3)4)11-15(13)26(23,24)21-7-9-25-10-8-21/h5-6,11H,7-10,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 49n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair