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SMILES: Clc1ccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc2c1

InChI Key: InChIKey=IZUABTPJOXDHAT-AWEZNQCLSA-N

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   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 = 50042904   
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))
BDBM50042904
PNG
(CHEMBL3354561)
Show SMILES Clc1ccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc2c1 |r|
Show InChI InChI=1S/C18H21ClN4O4S2/c19-12-4-5-15-13(11-12)20-17(28-15)21-16(24)14-3-1-2-6-23(14)18(25)22-7-9-29(26,27)10-8-22/h4-5,11,14H,1-3,6-10H2,(H,20,21,24)/t14-/m0/s1
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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))
BDBM50042904
PNG
(CHEMBL3354561)
Show SMILES Clc1ccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc2c1 |r|
Show InChI InChI=1S/C18H21ClN4O4S2/c19-12-4-5-15-13(11-12)20-17(28-15)21-16(24)14-3-1-2-6-23(14)18(25)22-7-9-29(26,27)10-8-22/h4-5,11,14H,1-3,6-10H2,(H,20,21,24)/t14-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 26n/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