Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'busonera' and Initial = 'b'   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168128 (CHEMBL191655 | O-2-(1,3-dioxoisoindolin-2-yl)ethyl...) Show SMILES O=C1N(CCOC(=S)Nc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C17H14N2O3S/c20-15-13-8-4-5-9-14(13)16(21)19(15)10-11-22-17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 virion reverse transcriptase				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493837 (CHEMBL2443298) Show SMILES Clc1ccc(CCNc2nc3n(-c4ccccc4)c(=S)n(-c4ccccc4)c(=S)c3c(=N)n2-c2ccccc2)cc1 Show InChI InChI=1S/C32H25ClN6S2/c33-23-18-16-22(17-19-23)20-21-35-31-36-29-27(28(34)37(31)24-10-4-1-5-11-24)30(40)39(26-14-8-3-9-15-26)32(41)38(29)25-12-6-2-7-13-25/h1-19,34H,20-21H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493837 (CHEMBL2443298) Show SMILES Clc1ccc(CCNc2nc3n(-c4ccccc4)c(=S)n(-c4ccccc4)c(=S)c3c(=N)n2-c2ccccc2)cc1 Show InChI InChI=1S/C32H25ClN6S2/c33-23-18-16-22(17-19-23)20-21-35-31-36-29-27(28(34)37(31)24-10-4-1-5-11-24)30(40)39(26-14-8-3-9-15-26)32(41)38(29)25-12-6-2-7-13-25/h1-19,34H,20-21H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493838 (CHEMBL2443297) Show SMILES N=c1n(c(NCc2cccnc2)nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c12)-c1ccccc1 Show InChI InChI=1S/C30H23N7S2/c31-26-25-27(34-29(33-20-21-11-10-18-32-19-21)35(26)22-12-4-1-5-13-22)36(23-14-6-2-7-15-23)30(39)37(28(25)38)24-16-8-3-9-17-24/h1-19,31H,20H2,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493846 (CHEMBL2443290) Show SMILES Cl.N=c1n(-c2ccccc2)c(NCCN2CCCCC2)nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c12 Show InChI InChI=1S/C31H31N7S2/c32-27-26-28(34-30(36(27)23-13-5-1-6-14-23)33-19-22-35-20-11-4-12-21-35)37(24-15-7-2-8-16-24)31(40)38(29(26)39)25-17-9-3-10-18-25/h1-3,5-10,13-18,32H,4,11-12,19-22H2,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493835 (CHEMBL2443288) Show SMILES Cl.N=c1n(c(NCc2cccnc2)nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c12)-c1ccccc1 Show InChI InChI=1S/C30H23N7S2/c31-26-25-27(34-29(33-20-21-11-10-18-32-19-21)35(26)22-12-4-1-5-13-22)36(23-14-6-2-7-15-23)30(39)37(28(25)38)24-16-8-3-9-17-24/h1-19,31H,20H2,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM241949 (US9428466, Merbarone) Show SMILES O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O Show InChI InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493842 (CHEMBL2443291) Show SMILES Cl.CCCCN(CCCC)CCCNc1nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c2c(=N)n1-c1ccccc1 Show InChI InChI=1S/C35H41N7S2/c1-3-5-24-39(25-6-4-2)26-16-23-37-34-38-32-30(31(36)40(34)27-17-10-7-11-18-27)33(43)42(29-21-14-9-15-22-29)35(44)41(32)28-19-12-8-13-20-28/h7-15,17-22,36H,3-6,16,23-26H2,1-2H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493841 (CHEMBL2443289) Show SMILES Cl.CN1CCN(CCCNc2nc3n(-c4ccccc4)c(=S)n(-c4ccccc4)c(=S)c3c(=N)n2-c2ccccc2)CC1 Show InChI InChI=1S/C32H34N8S2/c1-36-20-22-37(23-21-36)19-11-18-34-31-35-29-27(28(33)38(31)24-12-5-2-6-13-24)30(41)40(26-16-9-4-10-17-26)32(42)39(29)25-14-7-3-8-15-25/h2-10,12-17,33H,11,18-23H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493845 (CHEMBL2443300) Show SMILES N=c1n(c(NCCc2ccncc2)nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c12)-c1ccccc1 Show InChI InChI=1S/C31H25N7S2/c32-27-26-28(35-30(36(27)23-10-4-1-5-11-23)34-21-18-22-16-19-33-20-17-22)37(24-12-6-2-7-13-24)31(40)38(29(26)39)25-14-8-3-9-15-25/h1-17,19-20,32H,18,21H2,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493844 (CHEMBL2440361) Show SMILES CCN(CC)CCNc1nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c2c(=N)n1-c1ccccc1 Show InChI InChI=1S/C30H31N7S2/c1-3-34(4-2)21-20-32-29-33-27-25(26(31)35(29)22-14-8-5-9-15-22)28(38)37(24-18-12-7-13-19-24)30(39)36(27)23-16-10-6-11-17-23/h5-19,31H,3-4,20-21H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493843 (CHEMBL2443296) Show SMILES N=c1n(c(NCc2ccccn2)nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c12)-c1ccccc1 Show InChI InChI=1S/C30H23N7S2/c31-26-25-27(34-29(33-20-21-12-10-11-19-32-21)35(26)22-13-4-1-5-14-22)36(23-15-6-2-7-16-23)30(39)37(28(25)38)24-17-8-3-9-18-24/h1-19,31H,20H2,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493839 (CHEMBL2443292) Show SMILES CN(C)CCCNc1nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c2c(=N)n1-c1ccccc1 Show InChI InChI=1S/C29H29N7S2/c1-33(2)20-12-19-31-28-32-26-24(25(30)34(28)21-13-6-3-7-14-21)27(37)36(23-17-10-5-11-18-23)29(38)35(26)22-15-8-4-9-16-22/h3-11,13-18,30H,12,19-20H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493836 (CHEMBL2443299) Show SMILES N=c1n(c(NCCc2ccccn2)nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c12)-c1ccccc1 Show InChI InChI=1S/C31H25N7S2/c32-27-26-28(35-30(36(27)23-13-4-1-5-14-23)34-21-19-22-12-10-11-20-33-22)37(24-15-6-2-7-16-24)31(40)38(29(26)39)25-17-8-3-9-18-25/h1-18,20,32H,19,21H2,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50493840 (CHEMBL2440360) Show SMILES CN(C)CCNc1nc2n(-c3ccccc3)c(=S)n(-c3ccccc3)c(=S)c2c(=N)n1-c1ccccc1 Show InChI InChI=1S/C28H27N7S2/c1-32(2)19-18-30-27-31-25-23(24(29)33(27)20-12-6-3-7-13-20)26(36)35(22-16-10-5-11-17-22)28(37)34(25)21-14-8-4-9-15-21/h3-17,29H,18-19H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining				Bioorg Med Chem 21: 6328-36 (2013) Article DOI: 10.1016/j.bmc.2013.08.056 BindingDB Entry DOI: 10.7270/Q2B56NPJ
					More data for this Ligand-Target Pair