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BDBM50388578 CHEMBL2059694

SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O

InChI Key: InChIKey=HJTFWKPRYMVOSC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388578   
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))
BDBM50388578
PNG
(CHEMBL2059694)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C35H40N2O4S/c1-26-20-22-27(23-21-26)42(40,41)36-24-14-8-6-4-2-3-5-7-9-15-25-37-33-29-17-11-12-18-30(29)34(38)32(33)28-16-10-13-19-31(28)35(37)39/h10-13,16-23,36H,2-9,14-15,24-25H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair