BindingDB logo
myBDB logout

BDBM50397318 CHEMBL2170123

SMILES: OC1=NC(=S)C(S1)=Cc1ccc2[nH]ccc2c1

InChI Key: InChIKey=GZEAMQWISZFSLB-POHAHGRESA-N

Data: 1 IC50

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 1 hit for monomerid = 50397318   
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))
BDBM50397318
PNG
(CHEMBL2170123)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C12H8N2OS2/c15-12-14-11(16)10(17-12)6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H,14,15,16)/b10-6-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair