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BDBM50020637 CHEMBL3290486

SMILES: NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCC(=O)N2CCOCC2)cc1

InChI Key: InChIKey=LRJJUUGPQSYULJ-PDGQHHTCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020637   
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))
BDBM50020637
PNG
(CHEMBL3290486)
Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H20N2O6/c23-22(27)17-3-1-2-16-20(26)18(30-21(16)17)12-14-4-6-15(7-5-14)29-13-19(25)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,23,27)/b18-12-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 223n/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