BDBM50106737 CHEMBL267865::N-(4-Butyl-2-methyl-phenyl)-N'-hydroxy-formamidine::N-(4-butyl-2-methylphenyl)-N''-hydroxyimidoformamide::N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide

SMILES CCCCc1ccc(NC=NO)c(C)c1

InChI Key InChIKey=LYNOGBKNFIHKLE-UHFFFAOYSA-N

Data  18 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50106737   

TargetProstaglandin G/H synthase 2(Sheep)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  2.30E+3nMAssay Description:Tested for inhibitory activity of the compound against Prostaglandin G/H synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F11(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human recombinant CYP4F11 using Luciferin ME EGE as substrate incubated for 30 mins in presence of NADPH by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C9(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of recombinant human Cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  8.39E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  4.17E+3nMAssay Description:Concentration required to inhibit cytochrome P450 2C9.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  6.54E+4nMAssay Description:Concentration required to inhibit cytochrome P450 3A4.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  8.45E+4nMAssay Description:Concentration required to inhibit cytochrome P450 2D6.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  272nMAssay Description:Concentration required to inhibit cytochrome P450 19A1.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  461nMAssay Description:Concentration required to inhibit cytochrome P450 1A2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  100nMAssay Description:Inhibition of CYP3A4 in human kidney microsomes assessed as inhibition of 20-HETE formation using 7-benzyl-oxyquinoline as substrate in presence of a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C9(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  100nMAssay Description:Inhibition of CYP2C9 in human kidney microsomes assessed as inhibition of 20-HETE formation using 7-methoxy-4-trifluoromethylcoumarin as substrate in...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2D6(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  100nMAssay Description:Inhibition of CYP2D6 in human kidney microsomes assessed as inhibition of 20-HETE formation using 3-[2-(N,N-diethyl-N-methyl-amino)ethyl]-7-methoxy-4...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 4Z1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  601nMAssay Description:Inhibition of CYP4Z1 in human HEK293T cells using Luciferin-BE as substrate incubated for 30 mins in presence of NADPH by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2D6(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant CYP2D6 using Luciferin-ME EGE as substrate incubated for 30 mins in presence of NADPH by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C9(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  6.32E+3nMAssay Description:Inhibition of human recombinant CYP2C9 using Luciferin CEE as substrate incubated for 30 mins in presence of NADPH by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using Luciferin-IPA as substrate incubated for 30 mins in presence of NADPH by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 4F12(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  155nMAssay Description:Inhibition of human recombinant CYP4F12 using Luciferin ME EGE as substrate incubated for 30 mins in presence of NADPH by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50106737(CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...)
Affinity DataIC50:  7.10E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed