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SMILES: CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1

InChI Key: InChIKey=KWYDNXITTWSHTQ-UHFFFAOYSA-N

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 6 hits for monomerid = 50532474   
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 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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93n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
PDB

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93n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
PDB

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PC sid
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n/an/an/an/a 191n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding after 60 mins by liquid sc...


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 191n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding after 60 mins by liquid sc...


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
More data for this
Ligand-Target Pair