BDBM50320491 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID::CHEMBL1164729::FEBUXOSTAT::US11744839, Compound of formula 5

SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O

InChI Key InChIKey=BQSJTQLCZDPROO-UHFFFAOYSA-N

Data  6 KI  28 IC50  3 Kd  1 ITC

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50320491   

TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKi:  0.100nMAssay Description:Mixed-type inhibition of xanthine oxidase (unknown origin) assessed as inhibitory constant of enzyme-substrate complex using xanthine as substrate at...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKi:  0.100nMAssay Description:Non-competitive inhibition of human xanthine oxidaseMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKi:  0.120nMAssay Description:Mixed-type inhibition of bovine xanthine oxidaseMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of xanthine oxidase (unknown origin)More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKi:  0.900nMAssay Description:Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complexMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKi:  3.10nMAssay Description:Inhibition of xanthine dehydrogenase (unknown origin)More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  4nMAssay Description:Inhibition of rat xanthine oxidaseMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  20nMAssay Description:Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  30nMAssay Description:Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
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
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  4.29E+4nMAssay 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
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  1.90E+3nMAssay 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
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  10nMAssay Description:Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric methodMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  13nMAssay Description:Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 5 mins followed by substrate addition measured for 20 mi...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  5.20nMAssay Description:Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  24nMAssay Description:Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated with enzyme for 15 mins f...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  18nMAssay Description:Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation preincubated for 5 mins followed by xanthine addition and measured...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition and measured at 1 min f...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  24nMAssay Description:Inhibition of bovine milk xanthine oxidase using xanthine as substrate incubated for 15 mins followed by substrate addition and measured at 30 sec in...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  7nMAssay Description:Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate incubated for 3 mins by microplate ass...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  19nMAssay Description:Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by s...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  18nMAssay Description:Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
TargetFlavin reductase (NADPH)(Homo sapiens)
Korea Basic Science Institute

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKd:  1.63E+3nMAssay Description:Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...More data for this Ligand-Target Pair
TargetFlavin reductase (NADPH)(Homo sapiens)
Korea Basic Science Institute

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKd:  1.62E+3nMAssay Description:Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...More data for this Ligand-Target Pair
TargetFlavin reductase (NADPH)(Homo sapiens)
Korea Basic Science Institute

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataKd:  1.63E+3nMAssay Description:An enzyme activity assay for BLVRB was conducted. Since BLVRB catalyzes the NAD(P)H dependent readuction of FMN, changes in the NAD(P)H concentration...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  23nMAssay Description:Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate incubated for 15 mins followed by substrate addition by spectrophotometri...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of xanthine oxidase (unknown origin) measured by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  27nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293-A cells membrane vesicles assessed inhibition of ABCG2-mediated urate transport activi...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  28nMAssay Description:Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition by UV spectrophot...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  25nMAssay Description:Inhibition of bovine milk xanthine oxidase using xanthine as substrate assessed as decrease in uric acid formation preincubated for 5 minsMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  3nMAssay Description:Inhibition of bovine xanthine oxidase by spectrophotometryMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  10nMAssay Description:Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  10nMAssay Description:Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  30nMpH: 7.4Assay Description:Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Bos taurus (Bovine))
University Of California

Curated by ChEMBL
LigandPNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Affinity DataIC50:  19nMAssay Description:Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometryMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50320491   

CellFlavin reductase (NADPH)(Homo sapiens)
Korea Basic Science Institute

US Patent
SyringePNGBDBM50320491(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
ITC DataΔG°: -7.91kcal/mole −TΔS°: -2.14kcal/mole ΔH°: -5.76kcal/mole logk: 6.30E+5
T: 25.00°C