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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.3
BDBM50042449

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))
BDBM50042449
PNG
((2R,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)
Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21
Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16-,17-,18?/m1/s1
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PC cid
PC sid
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Similars

PubMed
n/an/an/an/a 4.00E+3n/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