BindingDB logo
myBDB logout

BDBM50438919 CHEMBL2420610

SMILES: Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2c1

InChI Key: InChIKey=NVTNTIIZDNKVCL-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50438919   
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
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438919
PNG
(CHEMBL2420610)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N5O2/c1-21-16(23)13-15(19-17(21)24)22(2)20-14(18-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50438919
PNG
(CHEMBL2420610)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N5O2/c1-21-16(23)13-15(19-17(21)24)22(2)20-14(18-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair