BDBM50554042 CHEMBL4761170

SMILES c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N

InChI Key InChIKey=PCFOKFFOSYNQNP-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50554042   

TargetCytochrome P450 3A4(Human)
Bristol Myers Squibb

Curated by ChEMBL

LigandBDBM50554042(CHEMBL4761170)Copy SMILESCopy InChI

Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/25/2022
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetMyeloperoxidase(Human)
Bristol Myers Squibb

Curated by ChEMBL

LigandBDBM50554042(CHEMBL4761170)Copy SMILESCopy InChI

Affinity DataIC50: 141nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/25/2022
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL