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BDBM50306527 (6aR,10aR)-6,6,9-trimethyl-1-(methylsulfinyl)-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene::CHEMBL600889

SMILES: CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)S(C)=O

InChI Key: InChIKey=VUCUVJOFUNNEBZ-YSSRZBRDSA-N

Data: 3 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 3 hits for monomerid = 50306527   
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))
BDBM50306527
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylsulfinyl)-3-pe...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)S(C)=O |r,c:16|
Show InChI InChI=1S/C22H32O2S/c1-6-7-8-9-16-13-19-21(20(14-16)25(5)23)17-12-15(2)10-11-18(17)22(3,4)24-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-,25?/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.93E+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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306527
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylsulfinyl)-3-pe...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)S(C)=O |r,c:16|
Show InChI InChI=1S/C22H32O2S/c1-6-7-8-9-16-13-19-21(20(14-16)25(5)23)17-12-15(2)10-11-18(17)22(3,4)24-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-,25?/m1/s1
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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))
BDBM50306527
PNG
((6aR,10aR)-6,6,9-trimethyl-1-(methylsulfinyl)-3-pe...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(c1)S(C)=O |r,c:16|
Show InChI InChI=1S/C22H32O2S/c1-6-7-8-9-16-13-19-21(20(14-16)25(5)23)17-12-15(2)10-11-18(17)22(3,4)24-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-,25?/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