BindingDB logo
myBDB logout

BDBM50145141 CHEMBL3764995

SMILES: Cn1cnnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1

InChI Key: InChIKey=KNXPMYHIMKQPKO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145141   
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))
BDBM50145141
PNG
(CHEMBL3764995)
Show SMILES Cn1cnnc1C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1
Show InChI InChI=1S/C19H16N6O/c1-25-10-20-23-18(25)15-16(11-6-3-2-4-7-11)21-13-9-5-8-12-14(13)17(15)22-24-19(12)26/h2-10,15-16,21H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 2.80n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


J Med Chem 59: 335-57 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WJR
More data for this
Ligand-Target Pair