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BDBM50425077 CHEMBL2312916

SMILES: COC(=O)CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1

InChI Key: InChIKey=PQGUZVUTXSTTCD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50425077   
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 1 (TDP1)


(Homo sapiens (Human))
BDBM50425077
PNG
(CHEMBL2312916)
Show SMILES COC(=O)CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1
Show InChI InChI=1S/C28H29N3O7/c1-28(2,3)38-27(36)29-12-7-13-31-24-18-8-5-6-9-19(18)25(34)23(24)17-11-10-16(14-20(17)26(31)35)30-21(32)15-22(33)37-4/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,29,36)(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair