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BDBM50322364 4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one::CHEMBL1171806

SMILES: CN(C)Cc1ccc(cc1)-c1c[nH]c(=O)c2cccc(O)c12

InChI Key: InChIKey=NCBXZVLOVKDCMW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322364   
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))
BDBM50322364
PNG
(4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoqu...)
Show SMILES CN(C)Cc1ccc(cc1)-c1c[nH]c(=O)c2cccc(O)c12
Show InChI InChI=1S/C18H18N2O2/c1-20(2)11-12-6-8-13(9-7-12)15-10-19-18(22)14-4-3-5-16(21)17(14)15/h3-10,21H,11H2,1-2H3,(H,19,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Johns Hopkins University Brain Science Institute

Curated by ChEMBL


Assay Description
Inhibition of PARP1


J Med Chem 53: 4561-84 (2010)


Article DOI: 10.1021/jm100012m
BindingDB Entry DOI: 10.7270/Q2NV9JF0
More data for this
Ligand-Target Pair