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BDBM50042899 CHEMBL3354529

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(Cl)cc2)no1

InChI Key: InChIKey=DKPYBBZNCJNYOY-INIZCTEOSA-N

Data: 2 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 2 hits for monomerid = 50042899   
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))
BDBM50042899
PNG
(CHEMBL3354529)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1S/C20H26ClN3O2/c1-20(2,3)17-12-18(23-26-17)22-19(25)16-6-4-5-11-24(16)13-14-7-9-15(21)10-8-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,22,23,25)/t16-/m0/s1
PDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 3n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042899
PNG
(CHEMBL3354529)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1S/C20H26ClN3O2/c1-20(2,3)17-12-18(23-26-17)22-19(25)16-6-4-5-11-24(16)13-14-7-9-15(21)10-8-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,22,23,25)/t16-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 217n/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