Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'capolongo' and Initial = 'l'   

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
Adenosine deaminase (Bos taurus (bovine))	BDBM50012528 (5-(7-Hydroxyamino-imidazo[4,5-b]pyridin-3-yl)-2-hy...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O4/c16-4-8-7(17)3-9(19-8)15-5-13-10-6(14-18)1-2-12-11(10)15/h1-2,5,7-9,16-18H,3-4H2,(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50406548 (CHEMBL2113394) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O5/c16-3-6-8(17)9(18)11(20-6)15-4-13-7-5(14-19)1-2-12-10(7)15/h1-2,4,6,8-9,11,16-19H,3H2,(H,12,14)/t6-,8-,9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50012527 (CHEMBL3142249 | N-[3-(4-p-Tolyloxy-5-p-tolyloxymet...) Show SMILES Cc1ccc(OC[C@H]2O[C@H](C[C@@H]2Oc2ccc(C)cc2)n2cnc3c(NO)ccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-3-7-18(8-4-16)31-14-22-21(32-19-9-5-17(2)6-10-19)13-23(33-22)29-15-27-24-20(28-30)11-12-26-25(24)29/h3-12,15,21-23,30H,13-14H2,1-2H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50368280 (CHEMBL612157) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NO)cc(Cl)nc12 |r| Show InChI InChI=1S/C11H13ClN4O5/c12-6-1-4(15-20)7-10(14-6)16(3-13-7)11-9(19)8(18)5(2-17)21-11/h1,3,5,8-9,11,17-20H,2H2,(H,14,15)/t5-,8-,9-,11?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					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	Article	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288994 (CHEMBL545578 | N'-((S)-4-Ethyl-4-hydroxy-3,13-diox...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\N=C\N(C)c5ccccc5)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C28H24N4O4/c1-3-28(35)21-13-24-25-17(14-32(24)26(33)20(21)15-36-27(28)34)12-19-22(10-7-11-23(19)30-25)29-16-31(2)18-8-5-4-6-9-18/h4-13,16,35H,3,14-15H2,1-2H3/b29-16+/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291417 ((E)-3-((S)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\C=C\C(N)=O)c4cc3Cn1c2=O Show InChI InChI=1S/C23H19N3O5/c1-2-23(30)16-9-18-20-13(10-26(18)21(28)15(16)11-31-22(23)29)8-14-12(6-7-19(24)27)4-3-5-17(14)25-20/h3-9,30H,2,10-11H2,1H3,(H2,24,27)/b7-6+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288991 (CHEMBL555409 | N'-((S)-4-Ethyl-4-hydroxy-3,13-diox...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N=C(C)N(C)C)c4cc3Cn1c2=O |r,w:19.19| Show InChI InChI=1S/C24H24N4O4/c1-5-24(31)17-10-20-21-14(11-28(20)22(29)16(17)12-32-23(24)30)9-15-18(25-13(2)27(3)4)7-6-8-19(15)26-21/h6-10,31H,5,11-12H2,1-4H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288989 (CHEMBL540086 | N'-((S)-4,11-Diethyl-4-hydroxy-3,13...) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cccc(\N=C\N(C)C)c12 |r| Show InChI InChI=1S/C25H26N4O4/c1-5-14-15-11-29-20(10-17-16(23(29)30)12-33-24(31)25(17,32)6-2)22(15)27-19-9-7-8-18(21(14)19)26-13-28(3)4/h7-10,13,32H,5-6,11-12H2,1-4H3/b26-13+/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291415 ((S)-4-Ethyl-4-hydroxy-10-vinyl-1,12-dihydro-4H-2-o...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(C=C)c4cc3Cn1c2=O Show InChI InChI=1S/C22H18N2O4/c1-3-12-6-5-7-17-14(12)8-13-10-24-18(19(13)23-17)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h3,5-9,27H,1,4,10-11H2,2H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					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	Article	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288988 (CHEMBL542775 | N-((S)-4-Ethyl-4-hydroxy-3,13-dioxo...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N=CNC)c4cc3Cn1c2=O |r,w:19.19| Show InChI InChI=1S/C22H20N4O4/c1-3-22(29)15-8-18-19-12(9-26(18)20(27)14(15)10-30-21(22)28)7-13-16(24-11-23-2)5-4-6-17(13)25-19/h4-8,11,29H,3,9-10H2,1-2H3,(H,23,24)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291418 ((E)-3-((S)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\C=C\C(=O)OC)c4cc3Cn1c2=O Show InChI InChI=1S/C24H20N2O6/c1-3-24(30)17-10-19-21-14(11-26(19)22(28)16(17)12-32-23(24)29)9-15-13(7-8-20(27)31-2)5-4-6-18(15)25-21/h4-10,30H,3,11-12H2,1-2H3/b8-7+/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291416 (2-Acetylamino-3-((S)-4-ethyl-4-hydroxy-3,13-dioxo-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(CC(NC(C)=O)C(=O)OC)c4cc3Cn1c2=O Show InChI InChI=1S/C26H25N3O7/c1-4-26(34)18-10-21-22-15(11-29(21)23(31)17(18)12-36-25(26)33)8-16-14(6-5-7-19(16)28-22)9-20(24(32)35-3)27-13(2)30/h5-8,10,20,34H,4,9,11-12H2,1-3H3,(H,27,30)/t20?,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288993 (CHEMBL543237 | N'-((S)-4-Ethyl-4-hydroxy-3,13-diox...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\N=C\N(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H22N4O4/c1-4-23(30)16-9-19-20-13(10-27(19)21(28)15(16)11-31-22(23)29)8-14-17(24-12-26(2)3)6-5-7-18(14)25-20/h5-9,12,30H,4,10-11H2,1-3H3/b24-12+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288992 (CHEMBL543000 | N-((S)-4-Ethyl-4-hydroxy-3,13-dioxo...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N=CN)c4cc3Cn1c2=O |r,w:20.21| Show InChI InChI=1S/C21H18N4O4/c1-2-21(28)14-7-17-18-11(8-25(17)19(26)13(14)9-29-20(21)27)6-12-15(23-10-22)4-3-5-16(12)24-18/h3-7,10,28H,2,8-9H2,1H3,(H2,22,23)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291412 ((Z)-2-Acetylamino-3-((S)-4-ethyl-4-hydroxy-3,13-di...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\C=C(/NC(C)=O)C(=O)OC)c4cc3Cn1c2=O Show InChI InChI=1S/C26H23N3O7/c1-4-26(34)18-10-21-22-15(11-29(21)23(31)17(18)12-36-25(26)33)8-16-14(6-5-7-19(16)28-22)9-20(24(32)35-3)27-13(2)30/h5-10,34H,4,11-12H2,1-3H3,(H,27,30)/b20-9-/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291410 (3-((S)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetr...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(CCC(=O)OC)c4cc3Cn1c2=O Show InChI InChI=1S/C24H22N2O6/c1-3-24(30)17-10-19-21-14(11-26(19)22(28)16(17)12-32-23(24)29)9-15-13(7-8-20(27)31-2)5-4-6-18(15)25-21/h4-6,9-10,30H,3,7-8,11-12H2,1-2H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288995 (CHEMBL554038 | N'-((S)-4-Ethyl-4-hydroxy-3,13-diox...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)\N=C\N(C)C |r| Show InChI InChI=1S/C23H22N4O4/c1-4-23(30)17-9-19-20-14(10-27(19)21(28)16(17)11-31-22(23)29)7-13-8-15(24-12-26(2)3)5-6-18(13)25-20/h5-9,12,30H,4,10-11H2,1-3H3/b24-12+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50288990 ((S)-4-Ethyl-4-hydroxy-10-{[1-morpholin-4-yl-meth-(...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\N=C\N5CCOCC5)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C25H24N4O5/c1-2-25(32)18-11-21-22-15(12-29(21)23(30)17(18)13-34-24(25)31)10-16-19(4-3-5-20(16)27-22)26-14-28-6-8-33-9-7-28/h3-5,10-11,14,32H,2,6-9,12-13H2,1H3/b26-14+/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of topoisomerase I.				Bioorg Med Chem Lett 6: 671-674 (1996) Article DOI: 10.1016/0960-894X(96)00083-2 BindingDB Entry DOI: 10.7270/Q2T153MM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291413 ((E)-3-((S)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(\C=C\C(=O)OC)cc4cc3Cn1c2=O Show InChI InChI=1S/C24H20N2O6/c1-3-24(30)17-10-19-21-15(11-26(19)22(28)16(17)12-32-23(24)29)9-14-8-13(4-6-18(14)25-21)5-7-20(27)31-2/h4-10,30H,3,11-12H2,1-2H3/b7-5+/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291411 ((S)-4-Ethyl-4-hydroxy-10-((E)-styryl)-1,12-dihydro...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(\C=C\c5ccccc5)c4cc3Cn1c2=O Show InChI InChI=1S/C28H22N2O4/c1-2-28(33)22-14-24-25-19(15-30(24)26(31)21(22)16-34-27(28)32)13-20-18(9-6-10-23(20)29-25)12-11-17-7-4-3-5-8-17/h3-14,33H,2,15-16H2,1H3/b12-11+/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50291414 ((S)-4-Ethyl-4-hydroxy-10-phenethyl-1,12-dihydro-4H...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(CCc5ccccc5)c4cc3Cn1c2=O Show InChI InChI=1S/C28H24N2O4/c1-2-28(33)22-14-24-25-19(15-30(24)26(31)21(22)16-34-27(28)32)13-20-18(9-6-10-23(20)29-25)12-11-17-7-4-3-5-8-17/h3-10,13-14,33H,2,11-12,15-16H2,1H3/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min				Bioorg Med Chem Lett 7: 847-850 (1997) Article DOI: 10.1016/S0960-894X(97)00105-4 BindingDB Entry DOI: 10.7270/Q2T43T3V
					More data for this Ligand-Target Pair