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BDBM50379694 CHEMBL2010900

SMILES: FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12

InChI Key: InChIKey=QBAHXZGQJNUJOJ-UHFFFAOYSA-N

Data: 4 KI  5 IC50

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 9 hits for monomerid = 50379694   
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))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
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5.62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
KEGG

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PubMed
46.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from rat recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
PDB

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PubMed
66.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from rat recombinant CB1 receptor expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
PDB

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3.39E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
PDB

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PubMed
n/an/a 229n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins ...


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
Reactome pathway
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.55n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins ...


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
PDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50379694
PNG
(CHEMBL2010900)
Show SMILES FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
Show InChI InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay


Bioorg Med Chem Lett 22: 2604-8 (2012)

More data for this
Ligand-Target Pair