BDBM50421684 CHEMBL5277619

SMILES COc1cccc(c1)-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)n1

InChI Key InChIKey=RGKSOFASRNLNSU-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50421684   

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

Curated by ChEMBL
LigandPNGBDBM50421684(CHEMBL5277619)
Affinity DataIC50: 6.60E+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
LigandPNGBDBM50421684(CHEMBL5277619)
Affinity DataKd:  660nMAssay 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
LigandPNGBDBM50421684(CHEMBL5277619)
Affinity DataIC50: 1.00E+4nMAssay 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
TargetSerine/threonine-protein kinase PknB(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
William S. Middleton Veterans Hospital

Curated by ChEMBL
LigandPNGBDBM50421684(CHEMBL5277619)
Affinity DataKi:  1.90E+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