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BDBM50244282 (6aR,10aR)-6,6,9-trimethyl-3-(2-o-tolylpropan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::6,6,9-Trimethyl-3-(1-methyl-1-o-tolyl-ethyl)-6a,7,10,10atetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL512343

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1C

InChI Key: InChIKey=QNFSJEOLAMIHHY-TZIWHRDSSA-N

Data: 4 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 4 hits for monomerid = 50244282   
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))
BDBM50244282
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-o-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1C |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-11-12-21-19(13-16)24-22(27)14-18(15-23(24)28-26(21,5)6)25(3,4)20-10-8-7-9-17(20)2/h7-11,14-15,19,21,27H,12-13H2,1-6H3/t19-,21-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
10.7n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244282
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-o-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1C |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-11-12-21-19(13-16)24-22(27)14-18(15-23(24)28-26(21,5)6)25(3,4)20-10-8-7-9-17(20)2/h7-11,14-15,19,21,27H,12-13H2,1-6H3/t19-,21-/m1/s1
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PC sid
UniChem
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10.7n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244282
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-o-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1C |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-11-12-21-19(13-16)24-22(27)14-18(15-23(24)28-26(21,5)6)25(3,4)20-10-8-7-9-17(20)2/h7-11,14-15,19,21,27H,12-13H2,1-6H3/t19-,21-/m1/s1
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34.4n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244282
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-o-tolylpropan-2-yl...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1C |r,t:1|
Show InChI InChI=1S/C26H32O2/c1-16-11-12-21-19(13-16)24-22(27)14-18(15-23(24)28-26(21,5)6)25(3,4)20-10-8-7-9-17(20)2/h7-11,14-15,19,21,27H,12-13H2,1-6H3/t19-,21-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
34.4n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.05.034
More data for this
Ligand-Target Pair