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BDBM50005241 CHEMBL3114524

SMILES: O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2c(cccc2[nH]1)-c1ccccc1

InChI Key: InChIKey=NEUITGIOLHCFLG-UHFFFAOYSA-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 = 50005241   
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))
BDBM50005241
PNG
(CHEMBL3114524)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2c(cccc2[nH]1)-c1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C24H25N3O/c28-23(27-24-12-15-9-16(13-24)11-17(10-15)14-24)22-25-20-8-4-7-19(21(20)26-22)18-5-2-1-3-6-18/h1-8,15-17H,9-14H2,(H,25,26)(H,27,28)
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Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
BindingDB Entry DOI: 10.7270/Q2FJ2J9K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50005241
PNG
(CHEMBL3114524)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2c(cccc2[nH]1)-c1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C24H25N3O/c28-23(27-24-12-15-9-16(13-24)11-17(10-15)14-24)22-25-20-8-4-7-19(21(20)26-22)18-5-2-1-3-6-18/h1-8,15-17H,9-14H2,(H,25,26)(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 123n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
BindingDB Entry DOI: 10.7270/Q2FJ2J9K
More data for this
Ligand-Target Pair