BDBM50027886 1-Butyl-3-(p-methylphenylsulfonyl)urea::1-Butyl-3-(p-tolylsulfonyl)urea::1-Butyl-3-tosylurea::CHEMBL782::N-(4-Methylphenylsulfonyl)-N'-butylurea::N-Butyl-N'-(4-methylphenylsulfonyl)urea::N-Butyl-N'-(p-tolylsulfonyl)urea::N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide::N-n-Butyl-N'-tosylurea::Orinase (TN)::TOLBUTAMIDE

SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1

InChI Key InChIKey=JLRGJRBPOGGCBT-UHFFFAOYSA-N

Data  4 KI  17 IC50  2 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50027886   

TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataKi:  3.98E+4nMAssay Description:Binding affinity towards human serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 6(Rattus norvegicus)
University Of California

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataKi:  5.55E+4nMAssay Description:Inhibition of rat Oat1 expressed in Xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 6(Rattus norvegicus)
University Of California

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataKi:  5.55E+4nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataKi:  7.00E+4nMAssay Description:Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B10(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Rattus norvegicus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataKd:  7.97E+3nMAssay Description:Binding affinity to Wistar rat serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataKd:  6.03E+3nMAssay Description:Binding affinity to human serum albumin by PAMPA methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Act

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50:  404nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetUDP-glucuronosyltransferase 1-6(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50:  2.81E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A4(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50:  380nMAssay Description:Inhibition of CYP2C9 in human liver microsomes incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetGenome polyprotein(West Nile virus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataIC50: >5.00E+4nMAssay Description:The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Korea Institute Of Science And Technology

LigandPNGBDBM50027886(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Affinity DataEC50:  7.84E+5nMpH: 7.3 T: 2°CAssay Description:The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed