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BDBM50532461 CHEMBL4472364

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

InChI Key: InChIKey=ZSOCOMKAVZVRKU-UHFFFAOYSA-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 = 50532461   
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))
BDBM50532461
PNG
(CHEMBL4472364)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30N2O2/c1-6-7-8-9-10-20(2,3)14-11-16(24)18-17(12-14)25-21(4,5)15-13-22-23-19(15)18/h11-13,24H,6-10H2,1-5H3,(H,22,23)
PDB

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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
29n/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))
BDBM50532461
PNG
(CHEMBL4472364)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30N2O2/c1-6-7-8-9-10-20(2,3)14-11-16(24)18-17(12-14)25-21(4,5)15-13-22-23-19(15)18/h11-13,24H,6-10H2,1-5H3,(H,22,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/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))
BDBM50532461
PNG
(CHEMBL4472364)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30N2O2/c1-6-7-8-9-10-20(2,3)14-11-16(24)18-17(12-14)25-21(4,5)15-13-22-23-19(15)18/h11-13,24H,6-10H2,1-5H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/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))
BDBM50532461
PNG
(CHEMBL4472364)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30N2O2/c1-6-7-8-9-10-20(2,3)14-11-16(24)18-17(12-14)25-21(4,5)15-13-22-23-19(15)18/h11-13,24H,6-10H2,1-5H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/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