BDBM29034 cyanohydroxybutenamide, 24

SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl

InChI Key InChIKey=QMGYKHQZTXOTFK-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 29034   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
University of Leeds

LigandBDBM29034(cyanohydroxybutenamide, 24)Copy SMILESCopy InChI

Affinity DataKi:  2.70nM IC50:  22nMAssay Description:The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoChEBI
PC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University of Leeds

LigandBDBM29034(cyanohydroxybutenamide, 24)Copy SMILESCopy InChI

Affinity DataKi:  2.05E+4nM ΔG°:  -6.39kcal/mole IC50:  1.65E+5nMpH: 8.0 T: 25°CAssay Description:The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoChEBI
PC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL