BDBM50517949 CHEMBL4447540

SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1

InChI Key InChIKey=JCOQDKZVKXILLW-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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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 = 50517949   

TargetDecaprenylphosphoryl-beta-D-ribose oxidase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The Maharaja Sayajirao University Of Baroda

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50:  100nMAssay Description:Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
The Maharaja Sayajirao University Of Baroda

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50:  100nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 30 mins by in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
The Maharaja Sayajirao University Of Baroda

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50:  100nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate incubated for 20 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDecaprenylphosphoryl-beta-D-ribose oxidase(Mycobacterium smegmatis (strain ATCC 700084 / mc(2...)
University College London

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of N-terminal thioredoxin-tagged Mycobacterium smegmatis DprE1 expressed in Escherichia coli BL21(DE3) incubated for 7 days by microplate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed