BDBM50359622 CHEMBL1928432

SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O

InChI Key InChIKey=IJDGQXGQAWBJEG-BFHYXJOUSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50359622   

TargetThymidylate kinase(Mycobacterium tuberculosis)
Ghent University

Curated by ChEMBL

LigandBDBM50359622(CHEMBL1928432)Copy SMILESCopy InChI

Affinity DataKi:  1.45E+4nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetdTMP kinase(Plasmodium falciparum (isolate 3D7))
University Of Dundee

Curated by ChEMBL

LigandBDBM50359622(CHEMBL1928432)Copy SMILESCopy InChI

Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/TrEMBL
B.MOADGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI