Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'shen' and Initial = 'll'   

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 2-beta (Homo sapiens (Human))	BDBM50366826 (DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50045000 ((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50045004 (9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...) Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50226409 (DEXTROFLOXACINE) Show SMILES C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	7.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50366826 (DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	9.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50045000 ((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50045004 (9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...) Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50226409 (DEXTROFLOXACINE) Show SMILES C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor				J Med Chem 30: 2283-6 (1987) BindingDB Entry DOI: 10.7270/Q2R78HFX
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349933 (CHEMBL1812144) Show SMILES ClC1=C2OC=C(CC=C)c3cccc(C(=O)C1=O)c23 |c:1,t:4| Show InChI InChI=1S/C15H9ClO3/c1-2-4-8-7-19-15-11-9(8)5-3-6-10(11)13(17)14(18)12(15)16/h2-3,5-7H,1,4H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349934 (CHEMBL1812139) Show SMILES CC1COC2=CC(=O)C(=O)c3cccc1c23 |t:4| Show InChI InChI=1S/C13H10O3/c1-7-6-16-11-5-10(14)13(15)9-4-2-3-8(7)12(9)11/h2-5,7H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349932 (CHEMBL1812137) Show SMILES OC1(Cc2ccccc2)COC2=CC(=O)C(=O)c3cccc1c23 |t:12| Show InChI InChI=1S/C19H14O4/c20-15-9-16-17-13(18(15)21)7-4-8-14(17)19(22,11-23-16)10-12-5-2-1-3-6-12/h1-9,22H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/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	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair				3D Structure (crystal)