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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'chuang' and Initial = 'yc'   
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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50388392
PNG
(CHEMBL2058262)
Show SMILES CC(CN1C(=O)S\C(=C/c2ccc(O)c(c2)C(F)(F)F)C1=O)(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-15(6-16(19,20)21,7-17(22,23)24)8-28-13(30)12(32-14(28)31)5-9-2-3-11(29)10(4-9)18(25,26)27/h2-5,29H,6-8H2,1H3/b12-5-
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of GLUT1 mediated [3H]-2-DG uptake in human LNCAP cells after 30 mins by scintillation counting


J Med Chem 55: 3827-36 (2012)


Article DOI: 10.1021/jm300015m
BindingDB Entry DOI: 10.7270/Q26H4JG2
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326196
PNG
((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCCC1)c1c-2c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H23N3O3/c1-28-15-8-9-16-18(14-15)22(25-29-13-12-26-10-4-5-11-26)20-17-6-2-3-7-19(17)24-23(27)21(16)20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,27)/b25-22+
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n/an/a 3.76E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50388391
PNG
(CHEMBL2057965)
Show SMILES CCC(CC)CN1C(=O)S\C(=C/c2ccc(O)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H18F3NO3S/c1-3-10(4-2)9-21-15(23)14(25-16(21)24)8-11-5-6-13(22)12(7-11)17(18,19)20/h5-8,10,22H,3-4,9H2,1-2H3/b14-8-
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of GLUT1 mediated [3H]-2-DG uptake in human LNCAP cells after 30 mins by scintillation counting


J Med Chem 55: 3827-36 (2012)


Article DOI: 10.1021/jm300015m
BindingDB Entry DOI: 10.7270/Q26H4JG2
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326192
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3/b29-25+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326187
PNG
((E)-9-Methoxy-11H-indeno[1,2-c]quinolin-11-oneO-2-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2cnc2ccccc12
Show InChI InChI=1S/C21H21N3O2/c1-24(2)10-11-26-23-21-17-12-14(25-3)8-9-15(17)18-13-22-19-7-5-4-6-16(19)20(18)21/h4-9,12-13H,10-11H2,1-3H3/b23-21+
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n/an/a 7.20E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326181
PNG
((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C21H21N3O3/c1-24(2)10-11-27-23-20-16-12-13(26-3)8-9-14(16)19-18(20)15-6-4-5-7-17(15)22-21(19)25/h4-9,12H,10-11H2,1-3H3,(H,22,25)/b23-20+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326186
PNG
((E)-9-Methoxy-11H-indeno[1,2-c]quinolin-11-one O-2...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCCC1)c1c-2cnc2ccccc12
Show InChI InChI=1S/C23H23N3O2/c1-27-16-8-9-17-19(14-16)23(25-28-13-12-26-10-4-5-11-26)22-18-6-2-3-7-21(18)24-15-20(17)22/h2-3,6-9,14-15H,4-5,10-13H2,1H3/b25-23+
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n/an/a 8.20E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326191
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN(C)C)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C25H29N5O2/c1-29(2)14-15-32-28-24-20-16-17(31-3)8-9-18(20)23-22(24)19-6-4-5-7-21(19)27-25(23)30-12-10-26-11-13-30/h4-9,16,26H,10-15H2,1-3H3/b28-24+
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n/an/a 8.50E+3n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326194
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCCCC1)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C28H33N5O2/c1-34-20-9-10-21-23(19-20)27(31-35-18-17-32-13-5-2-6-14-32)25-22-7-3-4-8-24(22)30-28(26(21)25)33-15-11-29-12-16-33/h3-4,7-10,19,29H,2,5-6,11-18H2,1H3/b31-27+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326193
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCCC1)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C27H31N5O2/c1-33-19-8-9-20-22(18-19)26(30-34-17-16-31-12-4-5-13-31)24-21-6-2-3-7-23(21)29-27(25(20)24)32-14-10-28-11-15-32/h2-3,6-9,18,28H,4-5,10-17H2,1H3/b30-26+
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n/an/a 1.28E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326195
PNG
((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C27H31N5O3/c1-33-19-6-7-20-22(18-19)26(30-35-17-14-31-12-15-34-16-13-31)24-21-4-2-3-5-23(21)29-27(25(20)24)32-10-8-28-9-11-32/h2-7,18,28H,8-17H2,1H3/b30-26+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326184
PNG
((E)-9-Methoxy-11H-indeno[1,2-c]quinolin-11-one O-2...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCCCC1)c1c-2cnc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c1-28-17-9-10-18-20(15-17)24(26-29-14-13-27-11-5-2-6-12-27)23-19-7-3-4-8-22(19)25-16-21(18)23/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3/b26-24+
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n/an/a 1.65E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326185
PNG
((E)-9-Methoxy-11H-indeno[1,2-c]quinolin-11-oneO-3-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2cnc2ccccc12
Show InChI InChI=1S/C22H23N3O2/c1-25(2)11-6-12-27-24-22-18-13-15(26-3)9-10-16(18)19-14-23-20-8-5-4-7-17(20)21(19)22/h4-5,7-10,13-14H,6,11-12H2,1-3H3/b24-22+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326188
PNG
(9-Methoxy-11H-indeno[1,2-c]quinolin-11-one | CHEMB...)
Show SMILES COc1ccc2-c3cnc4ccccc4c3C(=O)c2c1
Show InChI InChI=1S/C17H11NO2/c1-20-10-6-7-11-13(8-10)17(19)16-12-4-2-3-5-15(12)18-9-14(11)16/h2-9H,1H3
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Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326189
PNG
((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCCCC1)c1c-2c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-29-16-9-10-17-19(15-16)23(26-30-14-13-27-11-5-2-6-12-27)21-18-7-3-4-8-20(18)25-24(28)22(17)21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)/b26-23+
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Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326182
PNG
((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H23N3O3/c1-25(2)11-6-12-28-24-21-17-13-14(27-3)9-10-15(17)20-19(21)16-7-4-5-8-18(16)23-22(20)26/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,26)/b24-21+
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Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326183
PNG
((E)-9-Methoxy-11H-indeno[1,2-c]quinolin-11-oneO-2-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2cnc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c1-27-16-6-7-17-19(14-16)23(25-29-13-10-26-8-11-28-12-9-26)22-18-4-2-3-5-21(18)24-15-20(17)22/h2-7,14-15H,8-13H2,1H3/b25-23+
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Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50326190
PNG
((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...)
Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H23N3O4/c1-28-15-6-7-16-18(14-15)22(25-30-13-10-26-8-11-29-12-9-26)20-17-4-2-3-5-19(17)24-23(27)21(16)20/h2-7,14H,8-13H2,1H3,(H,24,27)/b25-22+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis


J Med Chem 53: 6164-79 (2010)


Article DOI: 10.1021/jm1005447
BindingDB Entry DOI: 10.7270/Q2BZ6710
More data for this
Ligand-Target Pair