BDBM50550146 CHEMBL4757665

SMILES OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1

InChI Key InChIKey=RAPJIPXYCVHSNT-UHFFFAOYSA-N

Data  3 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50550146   

TargetCystathionine beta-synthase(Human)
Institutet

Curated by ChEMBL
LigandPNGBDBM50550146(CHEMBL4757665)
Affinity DataKd:  9.40E+4nMAssay Description:Binding affinity to human CBS by PLP fluorescence-based screening assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetO-acetylserine sulfhydrylase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50550146(CHEMBL4757665)
Affinity DataKd:  2.41E+5nMAssay Description:Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK1 expressed in Escherichia coli BL21(DE3) assessed as dissociation cons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetO-phosphoserine sulfhydrylase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50550146(CHEMBL4757665)
Affinity DataIC50: 480nMAssay Description:Inhibition of Mycobacterium tuberculosis CysMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetS-sulfocysteine synthase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50550146(CHEMBL4757665)
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK2 expressed in Escherichia coli BL21(DE3) assessed as amount of S-sulfo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetO-acetylserine sulfhydrylase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50550146(CHEMBL4757665)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK1 expressed in Escherichia coli BL21(DE3) assessed as amount of cystein...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetS-sulfocysteine synthase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50550146(CHEMBL4757665)
Affinity DataKd:  4.87E+4nMAssay Description:Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK2 expressed in Escherichia coli BL21(DE3) assessed as dissociation cons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed