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BDBM50330773 ((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl)methanol::CHEMBL1277685::JWH-051

SMILES: CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=ORTVDISIJXKUAV-FCHUYYIVSA-N

Data: 5 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 5 hits for monomerid = 50330773   
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))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17|
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
PDB

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Article
PubMed
0.0320n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17|
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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PubMed
0.330n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17|
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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PubMed
0.720n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17|
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17|
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair