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BDBM50020658 CHEMBL3290491

SMILES: CN1CCN(CCCS(=O)(=O)Nc2ccc(\C=C3/Oc4c(cccc4C(N)=O)C3=O)cc2)CC1

InChI Key: InChIKey=HZIREOKHAYTQSX-PGMHBOJBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020658   
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))
BDBM50020658
PNG
(CHEMBL3290491)
Show SMILES CN1CCN(CCCS(=O)(=O)Nc2ccc(\C=C3/Oc4c(cccc4C(N)=O)C3=O)cc2)CC1
Show InChI InChI=1S/C24H28N4O5S/c1-27-11-13-28(14-12-27)10-3-15-34(31,32)26-18-8-6-17(7-9-18)16-21-22(29)19-4-2-5-20(24(25)30)23(19)33-21/h2,4-9,16,26H,3,10-15H2,1H3,(H2,25,30)/b21-16-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 113n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry


J Med Chem 57: 5579-601 (2014)


Article DOI: 10.1021/jm5002502
BindingDB Entry DOI: 10.7270/Q28C9XSS
More data for this
Ligand-Target Pair