Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'marshall' and Initial = 'k'   

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
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50538667 (CHEMBL4634190) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |r,c:33| Show InChI InChI=1S/C27H26N8O12S/c1-27(2,25(45)46)47-32-17(14-9-48-26(28)31-14)20(39)30-13-8-33-7-12(18(24(43)44)35(33)23(13)42)19(38)29-3-4-34-21(40)10-5-15(36)16(37)6-11(10)22(34)41/h5-6,9,13,36-37H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,38)(H,30,39)(H,43,44)(H,45,46)/b32-17-/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Department of Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity of bocillin labeled protein pre-incubated for 20 mins befor...				J Med Chem 63: 5990-6002 (2020) Article DOI: 10.1021/acs.jmedchem.0c00255 BindingDB Entry DOI: 10.7270/Q25142S5
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50183475 (5-(3-Amino-propylamino)-7,10-dihydroxy-2-[2-(2-hyd...) Show SMILES NCCCNc1ccc2n(CCNCCO)nc3-c4c(O)ccc(O)c4C(=O)c1c23 Show InChI InChI=1S/C21H25N5O4/c22-6-1-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,23-24,27-29H,1,6-11,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298272 (CHEMBL575610 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...) Show SMILES CN(CCNC(=O)CCC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C42H40Cl2N8O4/c1-49(21-23-51-31-13-5-9-27-37(31)39(47-51)25-7-3-11-29(43)35(25)41(27)55)19-17-45-33(53)15-16-34(54)46-18-20-50(2)22-24-52-32-14-6-10-28-38(32)40(48-52)26-8-4-12-30(44)36(26)42(28)56/h3-14H,15-24H2,1-2H3,(H,45,53)(H,46,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251129 (7-Chloro-2-{2-[(2-hydroxy-ethyl)-methyl-amino]-eth...) Show SMILES CN(CCO)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3	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
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50240660 (7-Hydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-5-[2-...) Show SMILES OCCNCCNc1ccc2n(CCNCCO)nc3-c4cccc(O)c4C(=O)c1c23 Show InChI InChI=1S/C22H27N5O4/c28-12-9-23-6-7-25-15-4-5-16-20-19(15)22(31)18-14(2-1-3-17(18)30)21(20)26-27(16)11-8-24-10-13-29/h1-5,23-25,28-30H,6-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251127 (Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-...) Show SMILES CN(CCOC(=O)CCCCC(=O)OCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C44H42Cl2N6O6/c1-49(19-21-51-33-15-7-11-29-39(33)41(47-51)27-9-5-13-31(45)37(27)43(29)55)23-25-57-35(53)17-3-4-18-36(54)58-26-24-50(2)20-22-52-34-16-8-12-30-40(34)42(48-52)28-10-6-14-32(46)38(28)44(30)56/h5-16H,3-4,17-26H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251129 (7-Chloro-2-{2-[(2-hydroxy-ethyl)-methyl-amino]-eth...) Show SMILES CN(CCO)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298277 (7-Chloro-[2-[(2-aminoethyl)methylamino]ethyl]anthr...) Show SMILES CN(CCN)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C19H19ClN4O/c1-23(9-8-21)10-11-24-15-7-3-5-13-17(15)18(22-24)12-4-2-6-14(20)16(12)19(13)25/h2-7H,8-11,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298275 (CHEMBL575645 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...) Show SMILES CN(CCNC(=O)CCCCCC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C45H46Cl2N8O4/c1-52(24-26-54-34-16-8-12-30-40(34)42(50-54)28-10-6-14-32(46)38(28)44(30)58)22-20-48-36(56)18-4-3-5-19-37(57)49-21-23-53(2)25-27-55-35-17-9-13-31-41(35)43(51-55)29-11-7-15-33(47)39(29)45(31)59/h6-17H,3-5,18-27H2,1-2H3,(H,48,56)(H,49,57)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251124 (Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-...) Show SMILES CN(CCOC(=O)CC(=O)OCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C41H36Cl2N6O6/c1-46(15-17-48-30-13-5-9-26-36(30)38(44-48)24-7-3-11-28(42)34(24)40(26)52)19-21-54-32(50)23-33(51)55-22-20-47(2)16-18-49-31-14-6-10-27-37(31)39(45-49)25-8-4-12-29(43)35(25)41(27)53/h3-14H,15-23H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298273 (CHEMBL575641 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...) Show SMILES CN(CCNC(=O)CCCC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C43H42Cl2N8O4/c1-50(22-24-52-32-14-5-10-28-38(32)40(48-52)26-8-3-12-30(44)36(26)42(28)56)20-18-46-34(54)16-7-17-35(55)47-19-21-51(2)23-25-53-33-15-6-11-29-39(33)41(49-53)27-9-4-13-31(45)37(27)43(29)57/h3-6,8-15H,7,16-25H2,1-2H3,(H,46,54)(H,47,55)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298276 (7-Chloro-[2-[(2-azidoethyl)methylamino]ethyl]anthr...) Show SMILES CN(CCN=[N+]=[N-])CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C19H17ClN6O/c1-25(9-8-22-24-21)10-11-26-15-7-3-5-13-17(15)18(23-26)12-4-2-6-14(20)16(12)19(13)27/h2-7H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251126 (Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-...) Show SMILES CN(CCOC(=O)CCCC(=O)OCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C43H40Cl2N6O6/c1-48(18-20-50-32-14-5-10-28-38(32)40(46-50)26-8-3-12-30(44)36(26)42(28)54)22-24-56-34(52)16-7-17-35(53)57-25-23-49(2)19-21-51-33-15-6-11-29-39(33)41(47-51)27-9-4-13-31(45)37(27)43(29)55/h3-6,8-15H,7,16-25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251128 (Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-...) Show SMILES CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1[nH]c2c3c1cccc3c(O)c1c(Cl)cccc21)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C45H46Cl2N6O6/c1-50(20-22-52-34-16-8-12-30-40(34)42(48-52)28-10-6-14-32(46)38(28)44(30)56)24-26-58-36(54)18-4-3-5-19-37(55)59-27-25-51(2)21-23-53-35-17-9-13-31-41(35)43(49-53)29-11-7-15-33(47)39(29)45(31)57/h6-17,48,56H,3-5,18-27H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298271 (CHEMBL575795 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...) Show SMILES CN(CCNC(=O)CC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C41H38Cl2N8O4/c1-48(19-21-50-30-13-5-9-26-36(30)38(46-50)24-7-3-11-28(42)34(24)40(26)54)17-15-44-32(52)23-33(53)45-16-18-49(2)20-22-51-31-14-6-10-27-37(31)39(47-51)25-8-4-12-29(43)35(25)41(27)55/h3-14H,15-23H2,1-2H3,(H,44,52)(H,45,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50298274 (CHEMBL575801 | N,N'-Bis(2-((2-(7-chloro-6-oxo-6H-d...) Show SMILES CN(CCNC(=O)CCCCC(=O)NCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C44H44Cl2N8O4/c1-51(23-25-53-33-15-7-11-29-39(33)41(49-53)27-9-5-13-31(45)37(27)43(29)57)21-19-47-35(55)17-3-4-18-36(56)48-20-22-52(2)24-26-54-34-16-8-12-30-40(34)42(50-54)28-10-6-14-32(46)38(28)44(30)58/h5-16H,3-4,17-26H2,1-2H3,(H,47,55)(H,48,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of decatenation activity of human topoisomerase 2alpha				Bioorg Med Chem 17: 4575-82 (2009) Article DOI: 10.1016/j.bmc.2009.04.072 BindingDB Entry DOI: 10.7270/Q28915XR
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50251125 (Bis(2-((2-(7-chloro-6-oxo-6H-dibenzo[cd,g]indazol-...) Show SMILES CN(CCOC(=O)CCC(=O)OCCN(C)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23)CCn1nc2-c3cccc(Cl)c3C(=O)c3cccc1c23 Show InChI InChI=1S/C42H38Cl2N6O6/c1-47(17-19-49-31-13-5-9-27-37(31)39(45-49)25-7-3-11-29(43)35(25)41(27)53)21-23-55-33(51)15-16-34(52)56-24-22-48(2)18-20-50-32-14-6-10-28-38(32)40(46-50)26-8-4-12-30(44)36(26)42(28)54/h3-14H,15-24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
					More data for this Ligand-Target Pair