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BDBM50243718 3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)propan-2-yl)benzonitrile::3-[1-(3-Cyano-phenyl)-1-methyl-ethyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL471366::KM-233

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N

InChI Key: InChIKey=FJPRUUVKOOCALO-NHCUHLMSSA-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 = 50243718   
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))
BDBM50243718
PNG
(3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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0.910n/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
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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0.910n/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
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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2.72n/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
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243718
PNG
(3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1|
Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1
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2.72n/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
BindingDB Entry DOI: 10.7270/Q2CC10GG
More data for this
Ligand-Target Pair