BDBM50119287 CHEMBL3617543

SMILES C1=CC(=S)N(C(=C1)C(=O)O)O

InChI Key InChIKey=BNYCWOPXGQKREA-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50119287   

TargetVIM-2 type metallo-beta-lactamase(Pseudomonas aeruginosa)
TBA

US Patent
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataKi:  20nMAssay Description:VIM-2 was diluted to 6 μM with 50 mM HEPES, pH 7.5, containing 150 mM NaCl. The diluted protein solution was used to make several 5 mL aliquots. L-Ca...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2025
Entry Details
US Patent

TargetHistone deacetylase 6(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 150nMAssay Description:Inhibition of HDAC6 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetVIM-2 type metallo-beta-lactamase(Pseudomonas aeruginosa)
TBA

US Patent
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 310nMAssay Description:VIM-2 was diluted to 6 μM with 50 mM HEPES, pH 7.5, containing 150 mM NaCl. The diluted protein solution was used to make several 5 mL aliquots. L-Ca...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2025
Entry Details
US Patent

TargetMetallo-beta lactamase [126-247,M154L](Klebsiella pneumoniae)
TBA

US Patent
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataKi:  420nMAssay Description:Nitrocefin (Cayman, CAS 41906-86-9) was used as the chromogenic substrate for all biochemical assays. The enzymatic activity of purified VIM-2 and ND...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetMetallo-beta lactamase [126-247,M154L](Klebsiella pneumoniae)
TBA

US Patent
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 810nMAssay Description:Nitrocefin (Cayman, CAS 41906-86-9) was used as the chromogenic substrate for all biochemical assays. The enzymatic activity of purified VIM-2 and ND...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetHistone deacetylase 8(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac) fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of HDAC5 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 4.30E+4nMAssay Description:Inhibition of HDAC1 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 4.70E+4nMAssay Description:Inhibition of HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 7.10E+4nMAssay Description:Inhibition of HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119287(CHEMBL3617543 | US12377086, Compound 51)
Affinity DataIC50: 7.10E+5nMAssay Description:Inhibition of HDAC2 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2016
Entry Details Article
PubMed