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BDBM50061109 (R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL111099

SMILES: CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=LOUSQMWLMDHRIK-ZYMOGRSISA-N

Data: 3 KI  1 EC50

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 = 50061109   
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))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of hum...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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PubMed
25.8n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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Article
PubMed
33n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane pre...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061109
PNG
((R)-9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,10,...)
Show SMILES CCCCCc1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:14|
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,22-23H,4-7,9-10,13H2,1-3H3/t16?,17-/m1/s1
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Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...


J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair