BDBM50600797 CHEMBL5183885

SMILES c1ccn2c(c1)c(c(c2C(=O)c3ccc(cc3)F)N)C(=O)N

InChI Key InChIKey=ORCDRDYWPJRKDA-UHFFFAOYSA-N

Data  4 Kd

PDB links: 1 PDB ID matches this monomer.

  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 = 50600797   

TargetSerine/threonine-protein kinase PknG(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM50600797(CHEMBL5183885)
Affinity DataKd:  2.20E+3nMAssay Description:Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as dissociation constant at 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PknG(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM50600797(CHEMBL5183885)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as dissociation constant at 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PknG(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM50600797(CHEMBL5183885)
Affinity DataKd:  3.60E+3nMAssay Description:Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as apparent dissociation cons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PknG(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM50600797(CHEMBL5183885)
Affinity DataKd:  8.10E+3nMAssay Description:Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as change in melting temperat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)