BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)CNC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=XRHHHGBXPRQTFC-UHFFFAOYSA-N

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 = 50377689   
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))
BDBM50377689
PNG
(CHEMBL403628)
Show SMILES CC(C)(C)CNC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H25BrN2O3S/c1-17(2,3)12-19-16(21)13-7-8-14(18)15(11-13)24(22,23)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB2 receptor


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377689
PNG
(CHEMBL403628)
Show SMILES CC(C)(C)CNC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H25BrN2O3S/c1-17(2,3)12-19-16(21)13-7-8-14(18)15(11-13)24(22,23)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB1 receptor


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair