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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.4
BDBM50231343

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231343
PNG
(CHEMBL119038)
Show SMILES [H][C@@]12CCc3cc(CO)c(OC)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O
Show InChI InChI=1S/C19H26O4/c1-18-7-4-8-19(2,17(21)22)16(18)6-5-12-9-13(11-20)15(23-3)10-14(12)18/h9-10,16,20H,4-8,11H2,1-3H3,(H,21,22)/t16-,18-,19-/m1/s1
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PC cid
PC sid
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Similars

PubMed
n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair