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BDBM50232851 CHEMBL2207623

SMILES: CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4ccc(Cl)cc4)C(=O)[C@@]3(C)c2c(O)c(C)c1O

InChI Key: InChIKey=DZZCQHXPUMRODI-PMILPSSXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50232851   
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


(Homo sapiens (Human))
BDBM50232851
PNG
(CHEMBL2207623)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4ccc(Cl)cc4)C(=O)[C@@]3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C24H20ClNO6/c1-10-20(29)18(12(3)27)22-19(21(10)30)24(4)16(32-22)9-15(28)17(23(24)31)11(2)26-14-7-5-13(25)6-8-14/h5-9,26,29-30H,1-4H3/b17-11+/t24-/m1/s1
PDB

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Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair