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
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50200120   

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

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(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 Medical Center

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