BDBM50421672 CHEMBL5316225

SMILES [H][C@@]1(O[C@@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@H]2C)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=OBJQKPXLHQUYSF-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 Kd

  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 5 hits for monomerid = 50421672   

TargetSerine/threonine-protein kinase PknB(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
William S. Middleton Veterans Hospital

Curated by ChEMBL
LigandPNGBDBM50421672(CHEMBL5316225)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant PknB (1 to 331 residues) expressed in Escherichia coli BL21-Rosetta cells using GarA and ATP as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase PknB(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
William S. Middleton Veterans Hospital

Curated by ChEMBL
LigandPNGBDBM50421672(CHEMBL5316225)
Affinity DataKd:  78nMAssay Description:Binding affinity to Mycobacterium tuberculosis recombinant N-terminal His-tagged PknB (1 to 331 residues) expressed in Escherichia coli DH5alpha cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
William S. Middleton Veterans Hospital

Curated by ChEMBL
LigandPNGBDBM50421672(CHEMBL5316225)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of human Cdk2/Cyclin A using Myelin basic protein as substrate by ATP competitive assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetCholinesterase(Human)
Universidade Federal Do Rio Grande Do Sul Av. Bento

Curated by ChEMBL
LigandPNGBDBM50421672(CHEMBL5316225)
Affinity DataIC50: 2.11E+4nMAssay Description:Inhibition of BuChE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase PknB(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
William S. Middleton Veterans Hospital

Curated by ChEMBL
LigandPNGBDBM50421672(CHEMBL5316225)
Affinity DataKi:  580nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant PknB (1 to 331 residues) expressed in Escherichia coli BL21-Rosetta cells using GarA and ATP as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed