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BDBM50179982 (6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL382684

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1

InChI Key: InChIKey=BNNTYBVRZLELKE-RTBURBONSA-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 = 50179982   
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))
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
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Article
PubMed
71.8n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 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
Cannabinoid receptor 2


(MOUSE)
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
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PubMed
71.8n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse spleen CB2 receptor


Bioorg Med Chem Lett 16: 1616-20 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
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PubMed
95n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 6754-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.044
BindingDB Entry DOI: 10.7270/Q2QV3Q9M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
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PubMed
95.5n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor


Bioorg Med Chem Lett 16: 1616-20 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179982
PNG
((6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-t...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)-c1ccc(C)cc1 |t:1|
Show InChI InChI=1S/C23H26O2/c1-14-5-8-16(9-6-14)17-12-20(24)22-18-11-15(2)7-10-19(18)23(3,4)25-21(22)13-17/h5-9,12-13,18-19,24H,10-11H2,1-4H3/t18-,19-/m1/s1
PDB

NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
95.5n/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