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BDBM50040961 CHEMBL3354952

SMILES: [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO

InChI Key: InChIKey=NORCYAGQZVMECV-MWLCHTKSSA-N

Data: 2 IC50  10 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 12 hits for monomerid = 50040961   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Astemizole from human ERG channel


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by patch clamp technique


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a 2.87E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat CB1 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hr...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a 64n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 ...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hr...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 ...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair