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BDBM50438904 CHEMBL2420509

SMILES: CCc1ccc(cc1)-c1nn(CC2CC2)c2nc(=O)n(C)c(=O)c2n1

InChI Key: InChIKey=KSBNRFBJXUKDSX-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 = 50438904   
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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50438904
PNG
(CHEMBL2420509)
Show SMILES CCc1ccc(cc1)-c1nn(CC2CC2)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C18H19N5O2/c1-3-11-6-8-13(9-7-11)15-19-14-16(20-18(25)22(2)17(14)24)23(21-15)10-12-4-5-12/h6-9,12H,3-5,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438904
PNG
(CHEMBL2420509)
Show SMILES CCc1ccc(cc1)-c1nn(CC2CC2)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C18H19N5O2/c1-3-11-6-8-13(9-7-11)15-19-14-16(20-18(25)22(2)17(14)24)23(21-15)10-12-4-5-12/h6-9,12H,3-5,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 360n/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