Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50039280   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008923 ((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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50326196 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326192 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326187 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326181 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326186 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326191 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326194 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326193 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326195 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326184 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM22984 ((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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326185 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326190 ((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 Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326188 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326183 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326182 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50326189 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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