BDBM50387919 CHEMBL2058677::US9283222, 414

SMILES O=c1[nH]nc(Cc2ccc(F)cc2)c2c1CCCN2

InChI Key InChIKey=AUYBTOGLGOBKNJ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387919   

TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50387919BDBM50387919(CHEMBL2058677 | US9283222, 414)
Affinity DataKi:  118nMAssay Description:Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Abbott Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50387919BDBM50387919(CHEMBL2058677 | US9283222, 414)
Affinity DataKi:  119nMpH: 8.0Assay Description:PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2017
Entry Details
US Patent