BindingDB logo
myBDB logout

null

SMILES: O=C(Nc1nc(ns1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=ZKFNEGFRVZFKRJ-HNNXBMFYSA-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 = 50042902   
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 1


(Homo sapiens (Human))
BDBM50042902
PNG
(CHEMBL3354563)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C19H23N5O4S2/c25-17(21-18-20-16(22-29-18)14-6-2-1-3-7-14)15-8-4-5-9-24(15)19(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,15H,4-5,8-13H2,(H,20,21,22,25)/t15-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
BindingDB Entry DOI: 10.7270/Q2QZ2CM5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042902
PNG
(CHEMBL3354563)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C19H23N5O4S2/c25-17(21-18-20-16(22-29-18)14-6-2-1-3-7-14)15-8-4-5-9-24(15)19(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,15H,4-5,8-13H2,(H,20,21,22,25)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 33n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
BindingDB Entry DOI: 10.7270/Q2QZ2CM5
More data for this
Ligand-Target Pair