new BindingDB logo
myBDB logout

BDBM50306531 CHEMBL600195::N-((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)acetamide

SMILES: CCCCCCC(C)(C)c1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=SEWMYSWOUWBGNK-FGZHOGPDSA-N

Data: 2 KI

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 = 50306531   
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))
BDBM50306531
PNG
(CHEMBL600195 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:18|
Show InChI InChI=1S/C27H41NO2/c1-8-9-10-11-14-26(4,5)20-16-23(28-19(3)29)25-21-15-18(2)12-13-22(21)27(6,7)30-24(25)17-20/h15-17,21-22H,8-14H2,1-7H3,(H,28,29)/t21-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
216n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306531
PNG
(CHEMBL600195 | N-((6aR,10aR)-6,6,9-trimethyl-3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cc(NC(C)=O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:18|
Show InChI InChI=1S/C27H41NO2/c1-8-9-10-11-14-26(4,5)20-16-23(28-19(3)29)25-21-15-18(2)12-13-22(21)27(6,7)30-24(25)17-20/h15-17,21-22H,8-14H2,1-7H3,(H,28,29)/t21-,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.34E+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