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

InChI Key: InChIKey=ADXMNDLGCLUVBL-QZTJIDSGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213611   
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))		BDBM50213611
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-methylhexan-2-yl)-...)
Show SMILES CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:15|
Show InChI InChI=1S/C23H34O2/c1-7-8-11-22(3,4)16-13-19(24)21-17-12-15(2)9-10-18(17)23(5,6)25-20(21)14-16/h9,13-14,17-18,24H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
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Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor

J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair