BDBM60994 (10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol::(S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol::6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(DeltaE-9-THC)::6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(delta9-THC(delta9-tetrahydrocannabinol))::8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10,11,12,12a-octahydro-2H,8H-1,7-dioxa-benzo[c]phenanthrene::9-Tetrahydrocannabinol::BDBM50007391::CHEMBL465::DRONABINOL::Marinol::Tetrahydrocannabinol::US9416103, Δ9-THC::delta-9-THC::delta-9-Tetrahydrocannabinol::delta-9-Tetrahydrocannabinol (THC)::delta9-THC::delta9-tetrahydrocannabinol

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

InChI Key InChIKey=CYQFCXCEBYINGO-IAGOWNOFSA-N

Data  63 KI  10 IC50  18 EC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 60994   

TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  5.80nMAssay Description:Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Astrazeneca R&D MontréAl

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  2.80nMAssay Description:Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCannabinoid receptor 2(Homo sapiens (Human))
Shionogi

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  9.5nMAssay Description:Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetG-protein coupled receptor 55(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  1.42E+4nMAssay Description:Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1/2(Rattus norvegicus (Rat))
Hebrew University

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  5.80nMAssay Description:Compound was evaluated for the inhibition of [3H]WIN-55212-2 binding in rat cerebellum membranesMore data for this Ligand-Target Pair
In DepthDetails
TargetCannabinoid receptor 1/2(Rattus norvegicus (Rat))
Hebrew University

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  218nMAssay Description:The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty-acid amide hydrolase 1(Homo sapiens (Human))
Eth Z�Rich

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  4.36E+4nMAssay Description:Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoglyceride lipase(Homo sapiens (Human))
Eth Z�Rich

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoacylglycerol lipase ABHD6(Homo sapiens (Human))
Eth Z�Rich

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  4.82E+4nMAssay Description:Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidylserine lipase ABHD12(Homo sapiens (Human))
Eth Z�Rich

Curated by ChEMBL
LigandPNGBDBM60994((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Affinity DataIC50:  1.16E+4nMAssay Description:Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed