BDBM50554035 CHEMBL4790231

SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1

InChI Key InChIKey=XBWRTBUYSVKILQ-BQEUZBSESA-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 = 50554035   

TargetMyeloperoxidase(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554035(CHEMBL4790231)
Affinity DataIC50:  4.20E+4nMAssay Description:Inhibition of PMA-induced MPO in human Neutrophil incubated for 3 mins by luminometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMyeloperoxidase(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554035(CHEMBL4790231)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMyeloperoxidase(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554035(CHEMBL4790231)
Affinity DataIC50:  1nMAssay Description:Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetEosinophil peroxidase(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554035(CHEMBL4790231)
Affinity DataIC50:  360nMAssay Description:Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLactoperoxidase(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50554035(CHEMBL4790231)
Affinity DataIC50: >6.20E+4nMAssay Description:Inhibition of LPO (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed