BDBM50601513 CHEMBL5180351
SMILES COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc1ccc(F)cc1
InChI Key InChIKey=HXUBJZRAVCPBRH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 13 hits for monomerid = 50601513
TargetCytochrome P450 2C9(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: >5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2C9 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by ...More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: >5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2C19 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: >5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2D6 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by ...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: >5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP3A4 preincubated for 0.5 hrs in presence or absence of NADPH followed by midazolam addition by ...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: >5.00E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP3A4 preincubated for 0.5 hrs in presence or absence of NADPH followed by testosterone addition ...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: 2.53E+3nMAssay Description:Time dependent inhibition of human liver microsome CYP1A2 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS me...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily KQT member 3(Rattus norvegicus)
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataEC50: 33nMAssay Description:Agonist activity at rat KCNQ2/3 channel expressed in CHO cells by patch clamp methodMore data for this Ligand-Target Pair
TargetCytochrome P450 2B6(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: 5.76E+3nMAssay Description:Time dependent inhibition of human liver microsome CYP2B6 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS me...More data for this Ligand-Target Pair
TargetCytochrome P450 2B6(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: 1.41E+5nMAssay Description:Time dependent inhibition of human liver microsome CYP2B6 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS met...More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: 3.52E+4nMAssay Description:Time dependent inhibition of human liver microsome CYP2C8 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS me...More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: 2.25E+5nMAssay Description:Time dependent inhibition of human liver microsome CYP2C8 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS met...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily KQT member 2(Rattus norvegicus)
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataEC50: 37nMAssay Description:Agonist activity at rat KCNQ2 channel expressed in CHO cells by patch clamp methodMore data for this Ligand-Target Pair
3D Structure (crystal)TargetCytochrome P450 1A2(Homo sapiens (Human))
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Shanghai Institute Of Materia Medica
Curated by ChEMBL
Affinity DataIC50: 1.42E+5nMAssay Description:Time dependent inhibition of human liver microsome CYP1A2 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS met...More data for this Ligand-Target Pair