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BDBM50440030 CHEMBL2425790

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc2SCCCn12

InChI Key: InChIKey=DXKTUEURAASGGW-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440030   
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 2


(Homo sapiens (Human))
BDBM50440030
PNG
(CHEMBL2425790)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc2SCCCn12
Show InChI InChI=1S/C16H20N4OS/c1-16(2,3)12-7-5-11(6-8-12)13(21)17-14-18-19-15-20(14)9-4-10-22-15/h5-8H,4,9-10H2,1-3H3,(H,17,18,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research Incorporated

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) after 60 mins by LC-MS analysis


J Med Chem 56: 7049-59 (2013)


Article DOI: 10.1021/jm400826j
BindingDB Entry DOI: 10.7270/Q2KS6SZ5
More data for this
Ligand-Target Pair