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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50015577   
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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157851
PNG
(3''-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-thieno[3,2...)
Show SMILES NC(=O)c1ccc(cc1)-c1cccc(Cn2c3ccsc3c(=O)n(O)c2=O)c1
Show InChI InChI=1S/C20H15N3O4S/c21-18(24)14-6-4-13(5-7-14)15-3-1-2-12(10-15)11-22-16-8-9-28-17(16)19(25)23(27)20(22)26/h1-10,27H,11H2,(H2,21,24)
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n/an/a 0.00300n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157833
PNG
(CHEMBL182077 | N-[3''-(3-Hydroxy-2,4-dioxo-3,4-dih...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cccc(Cn2c3ccsc3c(=O)n(O)c2=O)c1
Show InChI InChI=1S/C21H17N3O4S/c1-13(25)22-17-7-3-6-16(11-17)15-5-2-4-14(10-15)12-23-18-8-9-29-19(18)20(26)24(28)21(23)27/h2-11,28H,12H2,1H3,(H,22,25)
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n/an/a 0.00400n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157854
PNG
(5,6-Dibutyl-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2...)
Show SMILES On1c(=O)[nH]c2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C10H10N2O3S/c13-9-7-5-3-1-2-4-6(5)16-8(7)11-10(14)12(9)15/h15H,1-4H2,(H,11,14)
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n/an/a 0.00900n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157843
PNG
(7-Benzenesulfonyl-3-hydroxy-1H-thieno[3,2-d]pyrimi...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H8N2O5S2/c15-11-10-9(13-12(16)14(11)17)8(6-20-10)21(18,19)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.0100n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157840
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...)
Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O
Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2
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n/an/a 0.0110n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157830
PNG
(3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.0120n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157842
PNG
(3-Hydroxy-5-methyl-4a,7a-dihydro-1H-thieno[2,3-d]p...)
Show SMILES Cc1csc2[nH]c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C7H6N2O3S/c1-3-2-13-5-4(3)6(10)9(12)7(11)8-5/h2,12H,1H3,(H,8,11)
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n/an/a 0.0140n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157853
PNG
(5-Chloro-3-hydroxy-4a,8a-dihydro-1H-quinazoline-2,...)
Show SMILES On1c(=O)[nH]c2cccc(Cl)c2c1=O
Show InChI InChI=1S/C8H5ClN2O3/c9-4-2-1-3-5-6(4)7(12)11(14)8(13)10-5/h1-3,14H,(H,10,13)
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n/an/a 0.0140n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157828
PNG
(3-Hydroxy-1-(7-methoxy-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES COc1cc(Cn2c3scc(C)c3c(=O)n(O)c2=O)cc2OCOc12
Show InChI InChI=1S/C16H14N2O6S/c1-8-6-25-15-12(8)14(19)18(21)16(20)17(15)5-9-3-10(22-2)13-11(4-9)23-7-24-13/h3-4,6,21H,5,7H2,1-2H3
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n/an/a 0.0180n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157841
PNG
(7-Biphenyl-4-yl-3-hydroxy-1H-furo[3,2-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H12N2O4/c21-17-16-15(19-18(22)20(17)23)14(10-24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,23H,(H,19,22)
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n/an/a 0.0230n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157843
PNG
(7-Benzenesulfonyl-3-hydroxy-1H-thieno[3,2-d]pyrimi...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H8N2O5S2/c15-11-10-9(13-12(16)14(11)17)8(6-20-10)21(18,19)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.0230n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157832
PNG
(3-Hydroxy-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2sccc2c1=O
Show InChI InChI=1S/C6H4N2O3S/c9-5-3-1-2-12-4(3)7-6(10)8(5)11/h1-2,11H,(H,7,10)
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n/an/a 0.0250n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157844
PNG
(3-Hydroxy-5-methyl-1-phenyl-1H-thieno[2,3-d]pyrimi...)
Show SMILES Cc1csc2n(Cc3ccccc3)c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C14H12N2O3S/c1-9-8-20-13-11(9)12(17)16(19)14(18)15(13)7-10-5-3-2-4-6-10/h2-6,8,19H,7H2,1H3
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n/an/a 0.0280n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157830
PNG
(3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.0280n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157837
PNG
(3-Hydroxy-7-(3-methoxy-phenyl)-1H-furo[3,2-d]pyrim...)
Show SMILES COc1cccc(c1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O5/c1-19-8-4-2-3-7(5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.0310n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157838
PNG
(3-Hydroxy-7-(4-methoxy-phenyl)-1H-furo[3,2-d]pyrim...)
Show SMILES COc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O5/c1-19-8-4-2-7(3-5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.0340n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157839
PNG
(3-Hydroxy-1-(4-methoxy-phenyl)-5-methyl-1H-thieno[...)
Show SMILES COc1ccc(cc1)-n1c2scc(C)c2c(=O)n(O)c1=O
Show InChI InChI=1S/C14H12N2O4S/c1-8-7-21-13-11(8)12(17)16(19)14(18)15(13)9-3-5-10(20-2)6-4-9/h3-7,19H,1-2H3
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n/an/a 0.0350n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157836
PNG
(7-Benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-di...)
Show SMILES On1c(=O)[nH]c2c(Cc3ccccc3)coc2c1=O
Show InChI InChI=1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17)
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n/an/a 0.0380n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157831
PNG
(3-Hydroxy-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4...)
Show SMILES On1c(=O)[nH]c2c3ccccc3sc2c1=O
Show InChI InChI=1S/C10H6N2O3S/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
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n/an/a 0.0430n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157836
PNG
(7-Benzyl-3-hydroxy-1H-furo[3,2-d]pyrimidine-2,4-di...)
Show SMILES On1c(=O)[nH]c2c(Cc3ccccc3)coc2c1=O
Show InChI InChI=1S/C13H10N2O4/c16-12-11-10(14-13(17)15(12)18)9(7-19-11)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H,14,17)
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n/an/a 0.0610n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157831
PNG
(3-Hydroxy-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4...)
Show SMILES On1c(=O)[nH]c2c3ccccc3sc2c1=O
Show InChI InChI=1S/C10H6N2O3S/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
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n/an/a 0.0620n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157847
PNG
(1-(3-Bromo-benzyl)-3-hydroxy-1H-thieno[3,2-d]pyrim...)
Show SMILES On1c(=O)n(Cc2cccc(Br)c2)c2ccsc2c1=O
Show InChI InChI=1S/C13H9BrN2O3S/c14-9-3-1-2-8(6-9)7-15-10-4-5-20-11(10)12(17)16(19)13(15)18/h1-6,19H,7H2
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n/an/a 0.0720n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157845
PNG
(7-(4-Bromo-phenyl)-3-hydroxy-1H-furo[3,2-d]pyrimid...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H7BrN2O4/c13-7-3-1-6(2-4-7)8-5-19-10-9(8)14-12(17)15(18)11(10)16/h1-5,18H,(H,14,17)
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n/an/a 0.0760n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM33412
PNG
(CHEMBL183852 | N-hydroxy quinazolinedione, 4 | US1...)
Show SMILES On1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
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n/an/a 0.0790n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157846
PNG
(3-Hydroxy-7-p-tolyl-1H-furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES Cc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O4/c1-7-2-4-8(5-3-7)9-6-19-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.0820n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157832
PNG
(3-Hydroxy-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2sccc2c1=O
Show InChI InChI=1S/C6H4N2O3S/c9-5-3-1-2-12-4(3)7-6(10)8(5)11/h1-2,11H,(H,7,10)
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n/an/a 0.101n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157846
PNG
(3-Hydroxy-7-p-tolyl-1H-furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES Cc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O4/c1-7-2-4-8(5-3-7)9-6-19-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.128n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157835
PNG
(7-tert-Butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-...)
Show SMILES CC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1
Show InChI InChI=1S/C10H12N2O3S/c1-10(2,3)6-4-5-7(16-6)8(13)12(15)9(14)11-5/h4,15H,1-3H3,(H,11,14)
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n/an/a 0.135n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157841
PNG
(7-Biphenyl-4-yl-3-hydroxy-1H-furo[3,2-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H12N2O4/c21-17-16-15(19-18(22)20(17)23)14(10-24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,23H,(H,19,22)
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n/an/a 0.136n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157829
PNG
(3-Hydroxy-7-phenyl-1H-furo[3,2-d]pyrimidine-2,4-di...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O4/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.143n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157842
PNG
(3-Hydroxy-5-methyl-4a,7a-dihydro-1H-thieno[2,3-d]p...)
Show SMILES Cc1csc2[nH]c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C7H6N2O3S/c1-3-2-13-5-4(3)6(10)9(12)7(11)8-5/h2,12H,1H3,(H,8,11)
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n/an/a 0.145n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157834
PNG
(3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2cc(sc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-8(13-12(16)14(11)17)6-9(18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.146n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157854
PNG
(5,6-Dibutyl-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2...)
Show SMILES On1c(=O)[nH]c2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C10H10N2O3S/c13-9-7-5-3-1-2-4-6(5)16-8(7)11-10(14)12(9)15/h15H,1-4H2,(H,11,14)
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n/an/a 0.157n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM33412
PNG
(CHEMBL183852 | N-hydroxy quinazolinedione, 4 | US1...)
Show SMILES On1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
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n/an/a 0.160n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157853
PNG
(5-Chloro-3-hydroxy-4a,8a-dihydro-1H-quinazoline-2,...)
Show SMILES On1c(=O)[nH]c2cccc(Cl)c2c1=O
Show InChI InChI=1S/C8H5ClN2O3/c9-4-2-1-3-5-6(4)7(12)11(14)8(13)10-5/h1-3,14H,(H,10,13)
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n/an/a 0.185n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157834
PNG
(3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2cc(sc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-8(13-12(16)14(11)17)6-9(18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.202n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157837
PNG
(3-Hydroxy-7-(3-methoxy-phenyl)-1H-furo[3,2-d]pyrim...)
Show SMILES COc1cccc(c1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O5/c1-19-8-4-2-3-7(5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.215n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157851
PNG
(3''-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-thieno[3,2...)
Show SMILES NC(=O)c1ccc(cc1)-c1cccc(Cn2c3ccsc3c(=O)n(O)c2=O)c1
Show InChI InChI=1S/C20H15N3O4S/c21-18(24)14-6-4-13(5-7-14)15-3-1-2-12(10-15)11-22-16-8-9-28-17(16)19(25)23(27)20(22)26/h1-10,27H,11H2,(H2,21,24)
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n/an/a 0.226n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157838
PNG
(3-Hydroxy-7-(4-methoxy-phenyl)-1H-furo[3,2-d]pyrim...)
Show SMILES COc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O5/c1-19-8-4-2-7(3-5-8)9-6-20-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 0.230n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157850
PNG
(3-Hydroxy-1-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)n(Cc2ccccc2)c2sccc2c1=O
Show InChI InChI=1S/C13H10N2O3S/c16-11-10-6-7-19-12(10)14(13(17)15(11)18)8-9-4-2-1-3-5-9/h1-7,18H,8H2
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n/an/a 0.230n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157848
PNG
(3-Hydroxy-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES On1c(=O)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C10H6N2O4/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
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n/an/a 0.257n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157835
PNG
(7-tert-Butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-...)
Show SMILES CC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1
Show InChI InChI=1S/C10H12N2O3S/c1-10(2,3)6-4-5-7(16-6)8(13)12(15)9(14)11-5/h4,15H,1-3H3,(H,11,14)
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n/an/a 0.258n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157829
PNG
(3-Hydroxy-7-phenyl-1H-furo[3,2-d]pyrimidine-2,4-di...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O4/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 0.276n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157848
PNG
(3-Hydroxy-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES On1c(=O)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C10H6N2O4/c13-9-8-7(11-10(14)12(9)15)5-3-1-2-4-6(5)16-8/h1-4,15H,(H,11,14)
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n/an/a 0.285n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157840
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...)
Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O
Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2
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n/an/a 0.292n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157845
PNG
(7-(4-Bromo-phenyl)-3-hydroxy-1H-furo[3,2-d]pyrimid...)
Show SMILES On1c(=O)[nH]c2c(coc2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H7BrN2O4/c13-7-3-1-6(2-4-7)8-5-19-10-9(8)14-12(17)15(18)11(10)16/h1-5,18H,(H,14,17)
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n/an/a 0.327n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157852
PNG
(3-Hydroxy-1,5-dimethyl-1H-thieno[2,3-d]pyrimidine-...)
Show SMILES Cc1csc2n(C)c(=O)n(O)c(=O)c12
Show InChI InChI=1S/C8H8N2O3S/c1-4-3-14-7-5(4)6(11)10(13)8(12)9(7)2/h3,13H,1-2H3
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n/an/a 0.338n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157847
PNG
(1-(3-Bromo-benzyl)-3-hydroxy-1H-thieno[3,2-d]pyrim...)
Show SMILES On1c(=O)n(Cc2cccc(Br)c2)c2ccsc2c1=O
Show InChI InChI=1S/C13H9BrN2O3S/c14-9-3-1-2-8(6-9)7-15-10-4-5-20-11(10)12(17)16(19)13(15)18/h1-6,19H,7H2
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n/an/a 0.550n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50157833
PNG
(CHEMBL182077 | N-[3''-(3-Hydroxy-2,4-dioxo-3,4-dih...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cccc(Cn2c3ccsc3c(=O)n(O)c2=O)c1
Show InChI InChI=1S/C21H17N3O4S/c1-13(25)22-17-7-3-6-16(11-17)15-5-2-4-14(10-15)12-23-18-8-9-29-19(18)20(26)24(28)21(23)27/h2-11,28H,12H2,1H3,(H,22,25)
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n/an/a 0.556n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the xeroderma pigmentosum G


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157849
PNG
(3''-(3-Hydroxy-7-methyl-2,4-dioxo-3,4-dihydro-2H-t...)
Show SMILES Cc1csc2c1n(Cc1cccc(c1)-c1ccc(cc1)C(N)=O)c(=O)n(O)c2=O
Show InChI InChI=1S/C21H17N3O4S/c1-12-11-29-18-17(12)23(21(27)24(28)20(18)26)10-13-3-2-4-16(9-13)14-5-7-15(8-6-14)19(22)25/h2-9,11,28H,10H2,1H3,(H2,22,25)
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n/an/a 1.08n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Flap endonuclease-1


Bioorg Med Chem Lett 15: 277-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.086
BindingDB Entry DOI: 10.7270/Q2HD7V46
More data for this
Ligand-Target Pair
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