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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50027111'   
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 beta


(Mus musculus)		BDBM50027111
PNG
(26-(4-aminohexahydro-1-pyrazinyliminomethyl)-2,15,...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(N)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34|
Show InChI InChI=1S/C42H57N5O11/c1-21-11-10-12-22(2)41(54)45-33-28(20-44-47-16-14-46(43)15-17-47)19-29-31(37(33)52)36(51)26(6)39-32(29)40(53)42(8,58-39)56-18-13-30(55-9)23(3)38(57-27(7)48)25(5)35(50)24(4)34(21)49/h10-13,18-21,23-25,30,34-35,38,49-52H,14-17,43H2,1-9H3,(H,45,54)/b11-10+,18-13+,22-12-,44-20+
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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase

J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair