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BDBM50007387 1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene::CHEMBL113599::THC, 1-O-methyl-delta 9

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

InChI Key: InChIKey=FJRQDVCLUUZSIG-QZTJIDSGSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007387   
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


(Rattus norvegicus (rat))
BDBM50007387
PNG
(1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetr...)
Show SMILES CCCCCc1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1
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PC cid
PC sid
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Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50007387
PNG
(1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetr...)
Show SMILES CCCCCc1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1
PDB
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand


J Med Chem 34: 3310-6 (1991)


Article DOI: 10.1021/jm00115a023
BindingDB Entry DOI: 10.7270/Q2154K8S
More data for this
Ligand-Target Pair