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BDBM50067741 6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-6-methyl-heptanoic acid dimethylamide::CHEMBL344455

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

InChI Key: InChIKey=QGBHDXFADXCURB-WOJBJXKFSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50067741   
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


(Homo sapiens (Human))
BDBM50067741
PNG
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CN(C)C(=O)CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C26H39NO3/c1-17-11-12-20-19(14-17)24-21(28)15-18(16-22(24)30-26(20,4)5)25(2,3)13-9-8-10-23(29)27(6)7/h11,15-16,19-20,28H,8-10,12-14H2,1-7H3/t19-,20-/m1/s1
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PC sid
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Similars

Article
PubMed
0.860n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1)


J Med Chem 41: 4400-7 (1998)


Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ
More data for this
Ligand-Target Pair