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BDBM50328659 (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one::CHEMBL1259227

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

InChI Key: InChIKey=YHIZWEDKQCYPIV-HZPDHXFCSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50328659   
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


(MOUSE)
BDBM50328659
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 |r|
Show InChI InChI=1S/C20H28O3/c1-4-5-6-7-13-10-17(22)19-15-12-14(21)8-9-16(15)20(2,3)23-18(19)11-13/h10-11,15-16,22H,4-9,12H2,1-3H3/t15-,16-/m1/s1
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PC sid
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Similars

Article
PubMed
265n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328659
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,10,...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 |r|
Show InChI InChI=1S/C20H28O3/c1-4-5-6-7-13-10-17(22)19-15-12-14(21)8-9-16(15)20(2,3)23-18(19)11-13/h10-11,15-16,22H,4-9,12H2,1-3H3/t15-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
333n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair