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BDBM50042893 CHEMBL3354533

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)no1

InChI Key: InChIKey=HPBLNPJXZUUGOZ-AWEZNQCLSA-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 = 50042893   
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))
BDBM50042893
PNG
(CHEMBL3354533)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)no1 |r|
Show InChI InChI=1S/C18H29N3O2/c1-18(2,3)15-12-16(20-23-15)19-17(22)14-10-6-7-11-21(14)13-8-4-5-9-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/m0/s1
PDB

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KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/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))
BDBM50042893
PNG
(CHEMBL3354533)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)no1 |r|
Show InChI InChI=1S/C18H29N3O2/c1-18(2,3)15-12-16(20-23-15)19-17(22)14-10-6-7-11-21(14)13-8-4-5-9-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/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 1.30E+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