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BDBM50287932 CHEMBL56249::Phosphoric acid (6aR,10aR)-3-(1,1-dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl ester diethyl ester

SMILES: CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=XRKWHUJWNHCGIL-DNQXCXABSA-N

Data: 3 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 3 hits for monomerid = 50287932   
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))
BDBM50287932
PNG
(CHEMBL56249 | Phosphoric acid (6aR,10aR)-3-(1,1-di...)
Show SMILES CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H47O5P/c1-9-12-13-14-17-28(5,6)22-19-25-27(26(20-22)34-35(30,31-10-2)32-11-3)23-18-21(4)15-16-24(23)29(7,8)33-25/h15,19-20,23-24H,9-14,16-18H2,1-8H3/t23-,24-/m1/s1
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PC cid
PC sid
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Article
442n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287932
PNG
(CHEMBL56249 | Phosphoric acid (6aR,10aR)-3-(1,1-di...)
Show SMILES CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H47O5P/c1-9-12-13-14-17-28(5,6)22-19-25-27(26(20-22)34-35(30,31-10-2)32-11-3)23-18-21(4)15-16-24(23)29(7,8)33-25/h15,19-20,23-24H,9-14,16-18H2,1-8H3/t23-,24-/m1/s1
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PC cid
PC sid
UniChem
Article
>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay; second determination


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287932
PNG
(CHEMBL56249 | Phosphoric acid (6aR,10aR)-3-(1,1-di...)
Show SMILES CCCCCCC(C)(C)c1cc(OP(=O)(OCC)OCC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:25|
Show InChI InChI=1S/C29H47O5P/c1-9-12-13-14-17-28(5,6)22-19-25-27(26(20-22)34-35(30,31-10-2)32-11-3)23-18-21(4)15-16-24(23)29(7,8)33-25/h15,19-20,23-24H,9-14,16-18H2,1-8H3/t23-,24-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay; first determination


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair