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BDBM50306519 2-(dimethylamino)-N-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)acetamide::CHEMBL605994

SMILES: CCCCCc1cc(NC(=O)CN(C)C)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=CEWGTMQVOUFERG-WOJBJXKFSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306519   
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))
BDBM50306519
PNG
(2-(dimethylamino)-N-((6aR,10aR)-6,6,9-trimethyl-3-...)
Show SMILES CCCCCc1cc(NC(=O)CN(C)C)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:17|
Show InChI InChI=1S/C25H38N2O2/c1-7-8-9-10-18-14-21(26-23(28)16-27(5)6)24-19-13-17(2)11-12-20(19)25(3,4)29-22(24)15-18/h13-15,19-20H,7-12,16H2,1-6H3,(H,26,28)/t19-,20-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306519
PNG
(2-(dimethylamino)-N-((6aR,10aR)-6,6,9-trimethyl-3-...)
Show SMILES CCCCCc1cc(NC(=O)CN(C)C)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:17|
Show InChI InChI=1S/C25H38N2O2/c1-7-8-9-10-18-14-21(26-23(28)16-27(5)6)24-19-13-17(2)11-12-20(19)25(3,4)29-22(24)15-18/h13-15,19-20H,7-12,16H2,1-6H3,(H,26,28)/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor


Bioorg Med Chem Lett 20: 1424-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.092
BindingDB Entry DOI: 10.7270/Q2PC32GV
More data for this
Ligand-Target Pair