BDBM50200120 CHEMBL260091::CHIR-090::US10875832, Compound ChIR-090

SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO

InChI Key InChIKey=FQYBTYFKOHPWQT-VGSWGCGISA-N

Data  8 KI  7 IC50  1 Kd

PDB links: 3 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 16 hits for monomerid = 50200120   

TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Escherichia coli LpxC enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Escherichia coli LpxCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  2nMAssay Description:Inhibition of Escherichia coli LpxCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  2nMAssay Description:Inhibition of Escherichia coli LpxCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Rhizobium leguminosarum bv. trifolii (strain WSM13...)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  3nMAssay Description:Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Rhizobium leguminosarum bv. trifolii (strain WSM13...)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of Rhizobium leguminosarum LpxC S214G mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  5nMAssay Description:Inhibition of Escherichia coli LpxC Q202W/G210S mutantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKi:  8nMAssay Description:Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase()
Forge Therapeutics

US Patent
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50: <1nMAssay Description:LpxC inhibition assays were performed using liquid chromatography with tandem mass spectrometry. Assays were performed, in duplicate, in opaque, 96-w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataKd:  0.480nMAssay Description:Binding affinity to Pseudomonas aeruginosa PAO1 NB52019 LpxC after 60 to 420 secs by SPR methodMore data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50:  58nMAssay Description:Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50:  3nMAssay Description:Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate after 60 mins by OPA reagent based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Escherichia coli)
Duke University

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50:  3nMAssay Description:Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50: <1nMAssay Description:Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assayMore data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50: <2.10nMAssay Description:Inhibition of wild-type Pseudomonas aeruginosa PAO1 LpxC assessed as deacetylation preincubated for 30 mins followed by addition of UDP-3-O-(R-hydrox...More data for this Ligand-Target Pair
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50200120(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Affinity DataIC50:  310nMAssay Description:Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20 mins before substr...More data for this Ligand-Target Pair