BDBM50444027 CHEMBL3092523

SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2

InChI Key InChIKey=VBHDTUSGPSUCNL-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 = 50444027   

TargetPoly [ADP-ribose] polymerase 1(Human)
Ume£

Curated by ChEMBL

LigandBDBM50444027(CHEMBL3092523)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of catalytic domain of ATRD1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/25/2014
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetProtein mono-ADP-ribosyltransferase PARP3 [R100H](Human)
Ume£

Curated by ChEMBL

LigandBDBM50444027(CHEMBL3092523)Copy SMILESCopy InChI

Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of full length ATRD3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/25/2014
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL