Compile Data Set for Download or QSAR

Found 668 hits of ic50 for UniProtKB: P11387   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036132 (15-chloromethyl-8-ethyl-8-hydroxy-(8S)-2,3,8,9,12,...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CCl)c3Cn1c2=O Show InChI InChI=1S/C23H19ClN2O6/c1-2-23(29)15-6-17-20-13(9-26(17)21(27)14(15)10-32-22(23)28)12(8-24)11-5-18-19(7-16(11)25-20)31-4-3-30-18/h5-7,29H,2-4,8-10H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)				J Med Chem 38: 395-401 (1995) BindingDB Entry DOI: 10.7270/Q2F47N67
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036129 (14-chloromethyl-7-ethyl-7-hydroxy-(7S)-7,8,11,13-t...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CCl)c3Cn1c2=O Show InChI InChI=1S/C22H17ClN2O6/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19/h3-5,28H,2,6-9H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)				J Med Chem 38: 395-401 (1995) BindingDB Entry DOI: 10.7270/Q2F47N67
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562433 (CHEMBL4756086) Show SMILES COc1cc(\C=c2/sc3nc4ccc(NC(C)=O)cc4n3c2=O)cc(OC)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50565242 (CHEMBL4791048) Show SMILES Nc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
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	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	25	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036133 (7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034013 ((S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihyd...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O Show InChI InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
NeoGenesis, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against DNA topoisomerase I				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034013 ((S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihyd...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O Show InChI InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Curated by ChEMBL					Assay Description In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.				J Med Chem 38: 1106-18 (1995) BindingDB Entry DOI: 10.7270/Q2X067P4
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114304 BindingDB Entry DOI: 10.7270/Q25B06GC
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112551 BindingDB Entry DOI: 10.7270/Q2D79G56
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938 BindingDB Entry DOI: 10.7270/Q2930XGW
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50073854 (2,10-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethy...) Show SMILES OCC1OC(C(O)C(O)C1O)n1c2cc(O)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(O)cc4[nH]c3c12 Show InChI InChI=1S/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
deCODE BioStructures Curated by ChEMBL					Assay Description Inhibition of topoisomerase I-DNA complex in trapping assay				J Med Chem 48: 2336-45 (2005) Article DOI: 10.1021/jm049146p BindingDB Entry DOI: 10.7270/Q2CF9QVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036133 (7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation				Bioorg Med Chem Lett 5: 2129-2132 (1995) Article DOI: 10.1016/0960-894X(95)00360-6 BindingDB Entry DOI: 10.7270/Q20Z7379
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562432 (CHEMBL4786201) Show SMILES COc1cc(\C=c2/sc3nc4ccc(NC(C)=O)cc4n3c2=O)ccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034009 ((S)-4,11-Diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-te...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(N)=N Show InChI InChI=1S/C22H21N5O4/c1-3-10-11-5-15(19(23)24)25-7-16(11)26-18-12(10)8-27-17(18)6-14-13(20(27)28)9-31-21(29)22(14,30)4-2/h5-7,30H,3-4,8-9H2,1-2H3,(H3,23,24)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Curated by ChEMBL					Assay Description Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.				J Med Chem 38: 1106-18 (1995) BindingDB Entry DOI: 10.7270/Q2X067P4
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50422003 (CHEMBL10741) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(C)c4cc3Cn1c2=O Show InChI InChI=1S/C21H18N2O4/c1-3-21(26)15-8-17-18-12(7-13-11(2)5-4-6-16(13)22-18)9-23(17)19(24)14(15)10-27-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045377 ((20R)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50363804 (CHEMBL1946917) Show SMILES Oc1ccc2[nH]c3c(c2c1)c1ccc(O)cc1oc3=O Show InChI InChI=1S/C15H9NO4/c17-7-2-4-11-10(5-7)13-9-3-1-8(18)6-12(9)20-15(19)14(13)16-11/h1-6,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50406999 (CHEMBL2114243) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C21H17N3O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8,22H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50250996 (CHEMBL525240 | TANNIN | chebulagic acid | chebulan...) Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r| Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 14 units of enzyme				J Nat Prod 55: 401-413 (1992) Article DOI: 10.1021/np50082a001 BindingDB Entry DOI: 10.7270/Q2542NNP
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008935 ((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
deCODE BioStructures Curated by ChEMBL					Assay Description Inhibition of topoisomerase I-DNA complex in trapping assay				J Med Chem 48: 2336-45 (2005) Article DOI: 10.1021/jm049146p BindingDB Entry DOI: 10.7270/Q2CF9QVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562431 (CHEMBL4757169) Show SMILES COc1cc(\C=c2/sc3nc4ccc(cc4n3c2=O)[N+]([O-])=O)cc(OC)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045368 ((20S)-15-chloro-7-ethyl-7-hydroxy-7,8,11,13-tetrah...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(Cl)c4cc3Cn1c2=O Show InChI InChI=1S/C21H15ClN2O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
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	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562430 (CHEMBL4783134) Show SMILES COc1cc(\C=c2/sc3nc4ccc(cc4n3c2=O)[N+]([O-])=O)ccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045377 ((20R)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045381 ((20R)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahy...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O Show InChI InChI=1S/C21H17N3O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034018 ((S)-4,11-Diethyl-4,N-dihydroxy-3,13-dioxo-3,4,12,1...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(=N)NO Show InChI InChI=1S/C22H21N5O5/c1-3-10-11-5-15(19(23)26-31)24-7-16(11)25-18-12(10)8-27-17(18)6-14-13(20(27)28)9-32-21(29)22(14,30)4-2/h5-7,30-31H,3-4,8-9H2,1-2H3,(H2,23,26)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Curated by ChEMBL					Assay Description Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.				J Med Chem 38: 1106-18 (1995) BindingDB Entry DOI: 10.7270/Q2X067P4
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045381 ((20R)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahy...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O Show InChI InChI=1S/C21H17N3O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50036133 (7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)				J Med Chem 38: 395-401 (1995) BindingDB Entry DOI: 10.7270/Q2F47N67
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50407001 (CHEMBL2114244) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(Cl)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H15ClN2O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50049295 (7-ethyl-7-hydroxy-14-(3-hydroxymethyl-1-pyridinium...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4cccc(CO)c4)c3Cn1c2=O Show InChI InChI=1S/C28H24N3O7/c1-2-28(35)20-7-22-25-18(11-31(22)26(33)19(20)13-36-27(28)34)17(10-30-5-3-4-15(9-30)12-32)16-6-23-24(38-14-37-23)8-21(16)29-25/h3-9,32,35H,2,10-14H2,1H3/q+1/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research Institute Curated by ChEMBL					Assay Description Average concentration of compound to cause 50% inhibition of topoisomerase-I				J Med Chem 39: 713-9 (1996) Article DOI: 10.1021/jm950507y BindingDB Entry DOI: 10.7270/Q2416W41
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50250996 (CHEMBL525240 | TANNIN | chebulagic acid | chebulan...) Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r| Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 70 units of enzyme				J Nat Prod 55: 401-413 (1992) Article DOI: 10.1021/np50082a001 BindingDB Entry DOI: 10.7270/Q2542NNP
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045383 ((20S)-9,10-Dichloro-4-ethyl-4-hydroxy-1,12-dihydro...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(Cl)c(Cl)c4cc3Cn1c2=O Show InChI InChI=1S/C20H14Cl2N2O4/c1-2-20(27)12-6-15-17-9(5-10-14(23-17)4-3-13(21)16(10)22)7-24(15)18(25)11(12)8-28-19(20)26/h3-6,27H,2,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008936 ((S)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-o...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50008922 ((20S)-4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562429 (CHEMBL4758564) Show SMILES COc1cc(\C=C(/C#N)c2nc3cc(ccc3[nH]2)[N+]([O-])=O)cc(OC)c1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034019 ((S)-9-Bromo-4,11-diethyl-4-hydroxy-1,12-dihydro-4H...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12 Show InChI InChI=1S/C21H18BrN3O4/c1-3-10-11-5-17(22)23-7-15(11)24-18-12(10)8-25-16(18)6-14-13(19(25)26)9-29-20(27)21(14,28)4-2/h5-7,28H,3-4,8-9H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Curated by ChEMBL					Assay Description In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.				J Med Chem 38: 1106-18 (1995) BindingDB Entry DOI: 10.7270/Q2X067P4
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562434 (CHEMBL4785034) Show SMILES COc1cc(cc(OC)c1OC)-c1csc2nc3ccc(cc3n12)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045398 ((20S)-9-Bromo-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(Br)cc4cc3Cn1c2=O Show InChI InChI=1S/C20H15BrN2O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50049303 (7-ethyl-7-hydroxy-14-pyrazin-1-ium-1-ylmethyl-(7S)...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O Show InChI InChI=1S/C26H21N4O6/c1-2-26(33)18-8-20-23-16(11-30(20)24(31)17(18)12-34-25(26)32)15(10-29-5-3-27-4-6-29)14-7-21-22(36-13-35-21)9-19(14)28-23/h3-9,33H,2,10-13H2,1H3/q+1/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research Institute Curated by ChEMBL					Assay Description Average concentration of compound to cause 50% inhibition of topoisomerase-I				J Med Chem 39: 713-9 (1996) Article DOI: 10.1021/jm950507y BindingDB Entry DOI: 10.7270/Q2416W41
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50406995 (CHEMBL2115019) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(Cl)cc4cc3Cn1c2=O |r| Show InChI InChI=1S/C20H15ClN2O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50406990 (CHEMBL102252) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(N)cc4cc3Cn1c2=O Show InChI InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034014 ((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-3,4,12,...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N Show InChI InChI=1S/C21H16N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,8-9H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
NeoGenesis, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against DNA topoisomerase I				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50034014 ((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-3,4,12,...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N Show InChI InChI=1S/C21H16N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,8-9H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Curated by ChEMBL					Assay Description In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.				J Med Chem 38: 1106-18 (1995) BindingDB Entry DOI: 10.7270/Q2X067P4
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50562435 (CHEMBL4755007) Show SMILES COc1cc(cc(OC)c1OC)-c1csc2nc3ccc(N)cc3n12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112870 BindingDB Entry DOI: 10.7270/Q21Z4846
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50285229 (7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5ocnc5cc4cc3Cn1c2=O Show InChI InChI=1S/C21H15N3O5/c1-2-21(27)13-5-16-18-11(7-24(16)19(25)12(13)8-28-20(21)26)3-10-4-15-17(29-9-22-15)6-14(10)23-18/h3-6,9,27H,2,7-8H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation				Bioorg Med Chem Lett 5: 2129-2132 (1995) Article DOI: 10.1016/0960-894X(95)00360-6 BindingDB Entry DOI: 10.7270/Q20Z7379
					More data for this Ligand-Target Pair

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