BDBM50279763 CHEMBL4162308

SMILES NS(=O)(=O)c1ccc(s1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1

InChI Key InChIKey=KRMDPWLIHGQVGZ-UHFFFAOYSA-N

Data  3 KI

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50279763   

TargetSerine/threonine-protein kinase PknB(Mycobacterium tuberculosis)
Vertex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50279763(CHEMBL4162308)Copy SMILESCopy InChI

Affinity DataKi: <1.30nMAssay Description:Inhibition of Mycobacterium tuberculosis PknB (M1 to G279 residues) expressed in Escherichia coli BL21 (DE3) cells using [T-33P]ATP as substrate afte...More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetSerine/threonine-protein kinase PknA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Vertex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50279763(CHEMBL4162308)Copy SMILESCopy InChI

Affinity DataKi:  9nMAssay Description:Inhibition of Mycobacterium tuberculosis PknA (M1 to A296 residues) expressed in Escherichia coli BL21 (DE3) pLysS cells using [T-33P]ATP as substrat...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50279763(CHEMBL4162308)Copy SMILESCopy InChI

Affinity DataKi:  17nMAssay Description:Inhibition of hog kidney renin at 10e-9 M concentrationMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI