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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier family 22 member 6 (Rattus norvegicus) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Hospital Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes | Eur J Pharmacol 398: 193-7 (2000) BindingDB Entry DOI: 10.7270/Q24Q7W83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 6 (Rattus norvegicus) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of rat Oat1 expressed in Xenopus oocytes | Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank PubMed | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme | J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum albumin (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 3.98E+13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecular Discovery Ltd. Curated by ChEMBL | Assay Description Binding affinity towards human serum albumin | J Med Chem 48: 2469-79 (2005) Article DOI: 10.1021/jm049227l BindingDB Entry DOI: 10.7270/Q2125WDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | Assay Description Refer to Fisher et al., Drug Metab. Dispos., 28:560-566. | J Enzyme Inhib Med Chem 26: 386-93 (2011) Article DOI: 10.3109/14756366.2010.518965 BindingDB Entry DOI: 10.7270/Q2HQ3XS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 2B10 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | Assay Description Refer to Fisher et al., Drug Metab. Dispos., 28:560-566. | J Enzyme Inhib Med Chem 26: 386-93 (2011) Article DOI: 10.3109/14756366.2010.518965 BindingDB Entry DOI: 10.7270/Q2HQ3XS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Rattus norvegicus) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum albumin (Rattus norvegicus) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 7.97E+3 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Binding affinity to Wistar rat serum albumin | Drug Metab Dispos 39: 312-21 (2011) BindingDB Entry DOI: 10.7270/Q2J104Z4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum albumin (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 6.03E+3 | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Binding affinity to human serum albumin by PAMPA method | J Med Chem 51: 2009-17 (2008) Article DOI: 10.1021/jm7012826 BindingDB Entry DOI: 10.7270/Q28053XB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC Curated by ChEMBL | Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay | Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 2B7 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | Assay Description Refer to Fisher et al., Drug Metab. Dispos., 28:560-566. | J Enzyme Inhib Med Chem 26: 386-93 (2011) Article DOI: 10.3109/14756366.2010.518965 BindingDB Entry DOI: 10.7270/Q2HQ3XS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A6 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.81E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | Assay Description Refer to Fisher et al., Drug Metab. Dispos., 28:560-566. | J Enzyme Inhib Med Chem 26: 386-93 (2011) Article DOI: 10.3109/14756366.2010.518965 BindingDB Entry DOI: 10.7270/Q2HQ3XS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A4 (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | Assay Description Refer to Fisher et al., Drug Metab. Dispos., 28:560-566. | J Enzyme Inhib Med Chem 26: 386-93 (2011) Article DOI: 10.3109/14756366.2010.518965 BindingDB Entry DOI: 10.7270/Q2HQ3XS4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (West Nile virus) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human)) | BDBM50027886 (1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.84E+5 | n/a | n/a | 7.3 | 22 |
Korea Institute of Science and Technology | Assay 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 ... | Chem Biol Drug Des 88: 807-819 (2016) Article DOI: 10.1111/cbdd.12810 BindingDB Entry DOI: 10.7270/Q2S181B1 | |||||||||||
More data for this Ligand-Target Pair |