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BDBM50384154 CHEMBL2029736

SMILES: CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1

InChI Key: InChIKey=GMNVCBCXIRKAHE-CTNGQTDRSA-N

Data: 1 IC50  1 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 = 50384154   
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))
BDBM50384154
PNG
(CHEMBL2029736)
Show SMILES CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H39N3O4/c1-4-28-26(32)10-7-21(17-31)29(2)27(33)20-6-9-25-23(16-20)22-15-19(5-8-24(22)30(25)3)18-11-13-34-14-12-18/h6,9,16,18-19,21,31H,4-5,7-8,10-15,17H2,1-3H3,(H,28,32)/t19-,21+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 78.7n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
BindingDB Entry DOI: 10.7270/Q28P61JV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384154
PNG
(CHEMBL2029736)
Show SMILES CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H39N3O4/c1-4-28-26(32)10-7-21(17-31)29(2)27(33)20-6-9-25-23(16-20)22-15-19(5-8-24(22)30(25)3)18-11-13-34-14-12-18/h6,9,16,18-19,21,31H,4-5,7-8,10-15,17H2,1-3H3,(H,28,32)/t19-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
BindingDB Entry DOI: 10.7270/Q28P61JV
More data for this
Ligand-Target Pair