Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'bathula' and Initial = 'c'   

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 receptor A1 (Homo sapiens (Human))	BDBM50019516 (CHEMBL3291063) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1n[nH]c3ccc(F)cc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:21:20:2.3:7.6.8,9:7:20:2.3| Show InChI InChI=1S/C19H20ClFN6O/c1-26-17(20)15(9-22-26)19(28)27-12-3-4-13(27)8-11(7-12)23-18-14-6-10(21)2-5-16(14)24-25-18/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,23,24,25)/t11-,12+,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019514 (CHEMBL3290772) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl Show InChI InChI=1S/C20H22ClN5O2/c1-24-17-6-4-3-5-14(17)16(11-18(24)27)23-13-7-9-26(10-8-13)20(28)15-12-22-25(2)19(15)21/h3-6,11-13,23H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019519 (CHEMBL3291056) Show SMILES Cc1onc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C Show InChI InChI=1S/C21H22F2N4O3/c1-11-12(2)30-25-20(11)21(29)27-6-4-13(5-7-27)24-17-10-19(28)26(3)18-9-16(23)15(22)8-14(17)18/h8-10,13,24H,4-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019515 (CHEMBL3291062) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3cc(F)c(F)cc13)N2C(=O)c1noc(C)c1C |r,TLB:25:24:6.7.8:2.3,9:7:24:2.3| Show InChI InChI=1S/C23H24F2N4O3/c1-11-12(2)32-27-22(11)23(31)29-14-4-5-15(29)7-13(6-14)26-19-10-21(30)28(3)20-9-18(25)17(24)8-16(19)20/h8-10,13-15,26H,4-7H2,1-3H3/t13-,14+,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019515 (CHEMBL3291062) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3cc(F)c(F)cc13)N2C(=O)c1noc(C)c1C |r,TLB:25:24:6.7.8:2.3,9:7:24:2.3| Show InChI InChI=1S/C23H24F2N4O3/c1-11-12(2)32-27-22(11)23(31)29-14-4-5-15(29)7-13(6-14)26-19-10-21(30)28(3)20-9-18(25)17(24)8-16(19)20/h8-10,13-15,26H,4-7H2,1-3H3/t13-,14+,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50019511 (CHEMBL3290766) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccccc23)c1Cl Show InChI InChI=1S/C19H20ClN5O2/c1-24-18(20)14(11-21-24)19(27)25-8-6-12(7-9-25)22-16-10-17(26)23-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H2,22,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019517 (CHEMBL3291065) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3ncccc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:23:22:2.3:7.6.8,9:7:22:2.3| Show InChI InChI=1S/C21H23ClN6O2/c1-26-18(29)10-17(15-4-3-7-23-20(15)26)25-12-8-13-5-6-14(9-12)28(13)21(30)16-11-24-27(2)19(16)22/h3-4,7,10-14,25H,5-6,8-9H2,1-2H3/t12-,13+,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019518 (CHEMBL3291066) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3nccnc13)N2C(=O)c1noc(C)c1C |r,TLB:23:22:6.7.8:2.3,9:7:22:2.3| Show InChI InChI=1S/C21H24N6O3/c1-11-12(2)30-25-18(11)21(29)27-14-4-5-15(27)9-13(8-14)24-16-10-17(28)26(3)20-19(16)22-6-7-23-20/h6-7,10,13-15,24H,4-5,8-9H2,1-3H3/t13-,14+,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019516 (CHEMBL3291063) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1n[nH]c3ccc(F)cc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:21:20:2.3:7.6.8,9:7:20:2.3| Show InChI InChI=1S/C19H20ClFN6O/c1-26-17(20)15(9-22-26)19(28)27-12-3-4-13(27)8-11(7-12)23-18-14-6-10(21)2-5-16(14)24-25-18/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,23,24,25)/t11-,12+,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019514 (CHEMBL3290772) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl Show InChI InChI=1S/C20H22ClN5O2/c1-24-17-6-4-3-5-14(17)16(11-18(24)27)23-13-7-9-26(10-8-13)20(28)15-12-22-25(2)19(15)21/h3-6,11-13,23H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019513 (CHEMBL3290768) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3cc(F)c(F)cc23)c1Cl Show InChI InChI=1S/C19H18ClF2N5O2/c1-26-18(20)12(9-23-26)19(29)27-4-2-10(3-5-27)24-16-8-17(28)25-15-7-14(22)13(21)6-11(15)16/h6-10H,2-5H2,1H3,(H2,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019512 (CHEMBL3290767) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccc(F)cc23)c1Cl Show InChI InChI=1S/C19H19ClFN5O2/c1-25-18(20)14(10-22-25)19(28)26-6-4-12(5-7-26)23-16-9-17(27)24-15-3-2-11(21)8-13(15)16/h2-3,8-10,12H,4-7H2,1H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50019511 (CHEMBL3290766) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccccc23)c1Cl Show InChI InChI=1S/C19H20ClN5O2/c1-24-18(20)14(11-21-24)19(27)25-8-6-12(7-9-25)22-16-10-17(26)23-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by medium-throughput electrophysiology				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50114772 (CHEMBL3623273) Show SMILES COc1ccc(cn1)-c1csc(\C=C2\NC(=O)NC2=O)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50332532 ((E)-5-(3,4,5-trimethoxybenzylidene)imidazolidine-2...) Show SMILES COc1cc(\C=C2\NC(=O)NC2=O)cc(OC)c1OC Show InChI InChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50115810 (CHEMBL139899) Show SMILES COc1ccc(C=C2NC(=O)NC2=O)cc1OC Show InChI InChI=1S/C11H16N2/c1-9-5-6-10(8-12-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50119350 (CHEMBL3623274) Show SMILES COc1ccc(\C=C2\NC(=O)NC2=O)cc1C Show InChI InChI=1S/C15H24N2/c1-3-4-5-7-14-10-9-13(12-16-14)15-8-6-11-17(15)2/h9-10,12,15H,3-8,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50119351 (CHEMBL3623275) Show SMILES Brc1csc(\C=C2\NC(=O)NC2=O)c1 Show InChI InChI=1S/C12H18N2/c1-3-11-7-6-10(9-13-11)12-5-4-8-14(12)2/h6-7,9,12H,3-5,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50119352 (CHEMBL3623276) Show SMILES Cc1cc(C)cc(\C=C2\NC(=O)NC2=O)c1 Show InChI InChI=1S/C13H20N2/c1-3-5-12-8-7-11(10-14-12)13-6-4-9-15(13)2/h7-8,10,13H,3-6,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50114770 (CHEMBL3623272) Show SMILES COc1ccc(cn1)-c1ccc(\C=C2\NC(=O)NC2=O)s1 Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50095650 (CHEMBL3623271) Show SMILES Cc1ccc(\C=C2\NC(=S)NC2=O)cc1 Show InChI InChI=1S/C8H10ClN5O2/c1-10-8(13-14(15)16)12-5-6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H2,10,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50095648 (CHEMBL3623270) Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1 Show InChI InChI=1S/C8H9ClN8O2/c1-11-8(15-17(18)19)13-4-5-2-6(14-16-10)7(9)12-3-5/h2-3H,4H2,1H3,(H2,11,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50081727 (CHEMBL3623269) Show SMILES COc1cccc(\C=C2\NC(=S)NC2=O)c1 Show InChI InChI=1S/C17H18N2O3/c20-16-2-1-12(8-17(16)21)15-9-14(22-18-15)7-13-10-19-5-3-11(13)4-6-19/h1-2,7-9,11,20-21H,3-6,10H2/b13-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50081726 (CHEMBL3623268) Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1C Show InChI InChI=1S/C17H19N3O/c18-15-3-1-13(2-4-15)17-10-16(21-19-17)9-14-11-20-7-5-12(14)6-8-20/h1-4,9-10,12H,5-8,11,18H2/b14-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50049758 (CHEMBL3623267) Show SMILES [O-][N+](=O)c1ccc(\C=C2\NC(=S)NC2=O)cc1 Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50049755 (CHEMBL3623266) Show SMILES COc1ccc(cn1)-c1ccc(\C=C2\NC(=S)NC2=O)s1 Show InChI InChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50049752 (CHEMBL3623265) Show SMILES COc1ccc(cn1)-c1csc(\C=C2\NC(=S)NC2=O)c1 Show InChI InChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.03E+4	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50445298 (CHEMBL3104229) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C13H9N3OS2/c17-12-10(15-13(18)16-12)6-9-3-4-11(19-9)8-2-1-5-14-7-8/h1-7H,(H2,15,16,17,18)/b10-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50119353 (CHEMBL3623277) Show SMILES Cc1ccc(\C=C2\NC(=O)NC2=O)cc1 Show InChI InChI=1S/C14H22N2/c1-3-4-6-13-9-8-12(11-15-13)14-7-5-10-16(14)2/h8-9,11,14H,3-7,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50018914 (CHEMBL3623263) Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1OC Show InChI InChI=1S/C20H26N5O7P/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(32-16)10-31-33(28,29)30/h5-8,11,14-16,26H,2-4,9-10H2,1H3,(H2,28,29,30)(H2,22,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50018912 (CHEMBL3623262) Show SMILES Brc1csc(\C=C2\NC(=S)NC2=O)c1 Show InChI InChI=1S/C16H18N5O7P/c22-10-6-12(28-11(10)7-27-29(24,25)26)21-8-17-13-14(21)19-16(20-15(13)23)18-9-4-2-1-3-5-9/h1-5,8,10-12,22H,6-7H2,(H2,24,25,26)(H2,18,19,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50013078 (CHEMBL3623261) Show SMILES Cn1cc(\C=C2\NC(=S)NC2=O)c2ccccc12 Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-17-16-19-14-13(15(24)20-16)18-9-21(14)12-7-10(23)11(8-22)25-12/h9-12,22-23H,2-8H2,1H3,(H2,17,19,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50049751 (CHEMBL3623264) Show SMILES COc1cc(\C=C2\NC(=S)NC2=O)cc(OC)c1OC Show InChI InChI=1S/C10H14N2O/c1-3-9(12-6-1)8-13-10-4-2-5-11-7-10/h2,4-5,7,9,12H,1,3,6,8H2/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.32E+4	n/a	n/a	n/a	n/a
Shiv Nadar University Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...				Eur J Med Chem 102: 540-51 (2015) Article DOI: 10.1016/j.ejmech.2015.08.032 BindingDB Entry DOI: 10.7270/Q2FB54SZ
					More data for this Ligand-Target Pair