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BDBM50446670 CHEMBL3113566

SMILES: NC(=O)c1cccc2[nH]c(nc12)-c1ccc(OCC#C)cc1

InChI Key: InChIKey=NUYAGTXNYLWDAR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446670   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50446670
PNG
(CHEMBL3113566)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(OCC#C)cc1
Show InChI InChI=1S/C17H13N3O2/c1-2-10-22-12-8-6-11(7-9-12)17-19-14-5-3-4-13(16(18)21)15(14)20-17/h1,3-9H,10H2,(H2,18,21)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Washington University in Saint Louis

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as NAD+ consumption after 20 mins by fluorometric analysis in presence of activated DNA


Bioorg Med Chem 22: 1700-7 (2014)


Article DOI: 10.1016/j.bmc.2014.01.019
BindingDB Entry DOI: 10.7270/Q2TX3GVH
More data for this
Ligand-Target Pair