Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'labarbera' and Initial = 'dv'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate by double reciproca...				J Nat Prod 79: 1439-44 (2016) Article DOI: 10.1021/acs.jnatprod.6b00185 BindingDB Entry DOI: 10.7270/Q2CN75T2
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50145077 (CHEMBL3764535) Show SMILES O=C(c1[nH]c2[nH]c(CCCC#C)nc(=O)c2c1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H19N3O2/c1-2-3-6-15-18-25-23-20(24(29)26-18)19(16-11-7-4-8-12-16)21(27-23)22(28)17-13-9-5-10-14-17/h1,4-5,7-14H,3,6,15H2,(H2,25,26,27,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Texas State University Curated by ChEMBL					Assay Description Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis				J Med Chem 59: 480-5 (2016) Article DOI: 10.1021/acs.jmedchem.5b01426 BindingDB Entry DOI: 10.7270/Q2PV6N7Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505828 (CHEMBL4527023) Show SMILES Oc1ccc(F)cc1-c1ccnc2c(O)c(NC(=O)CCN3CCOCC3)ccc12 Show InChI InChI=1S/C22H22FN3O4/c23-14-1-4-19(27)17(13-14)15-5-7-24-21-16(15)2-3-18(22(21)29)25-20(28)6-8-26-9-11-30-12-10-26/h1-5,7,13,27,29H,6,8-12H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Texas State University Curated by ChEMBL					Assay Description Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis				J Med Chem 59: 480-5 (2016) Article DOI: 10.1021/acs.jmedchem.5b01426 BindingDB Entry DOI: 10.7270/Q2PV6N7Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505826 (CHEMBL4552030) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H13F3N2O2/c1-10(24)23-15-7-6-14-13(8-9-22-16(14)17(15)25)11-2-4-12(5-3-11)18(19,20)21/h2-9,25H,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505828 (CHEMBL4527023) Show SMILES Oc1ccc(F)cc1-c1ccnc2c(O)c(NC(=O)CCN3CCOCC3)ccc12 Show InChI InChI=1S/C22H22FN3O4/c23-14-1-4-19(27)17(13-14)15-5-7-24-21-16(15)2-3-18(22(21)29)25-20(28)6-8-26-9-11-30-12-10-26/h1-5,7,13,27,29H,6,8-12H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505821 (CHEMBL4457343) Show SMILES COc1cc(NC(C)=O)c(O)c2nccc(-c3ccccc3NC(=O)c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O4/c1-15(29)27-20-14-21(32-2)22-18(12-13-26-23(22)24(20)30)17-10-6-7-11-19(17)28-25(31)16-8-4-3-5-9-16/h3-14,30H,1-2H3,(H,27,29)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505822 (CHEMBL4514715) Show SMILES CC(C)(C)C(=O)Nc1ccc2c(ccnc2c1O)-c1ccccc1 Show InChI InChI=1S/C20H20N2O2/c1-20(2,3)19(24)22-16-10-9-15-14(13-7-5-4-6-8-13)11-12-21-17(15)18(16)23/h4-12,23H,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505823 (CHEMBL4584155) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccoc1 Show InChI InChI=1S/C15H12N2O3/c1-9(18)17-13-3-2-12-11(10-5-7-20-8-10)4-6-16-14(12)15(13)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505832 (CHEMBL4462930) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc2c(O)c(NC(C)=O)ccc12 Show InChI InChI=1S/C19H17N3O3/c1-11(23)21-14-5-3-13(4-6-14)15-9-10-20-18-16(15)7-8-17(19(18)25)22-12(2)24/h3-10,25H,1-2H3,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505832 (CHEMBL4462930) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc2c(O)c(NC(C)=O)ccc12 Show InChI InChI=1S/C19H17N3O3/c1-11(23)21-14-5-3-13(4-6-14)15-9-10-20-18-16(15)7-8-17(19(18)25)22-12(2)24/h3-10,25H,1-2H3,(H,21,23)(H,22,24)	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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505833 (CHEMBL4564777) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccs1 Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505824 (CHEMBL4476462) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C17H13FN2O3/c1-9(21)20-14-4-3-12-11(6-7-19-16(12)17(14)23)13-8-10(18)2-5-15(13)22/h2-8,22-23H,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505821 (CHEMBL4457343) Show SMILES COc1cc(NC(C)=O)c(O)c2nccc(-c3ccccc3NC(=O)c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O4/c1-15(29)27-20-14-21(32-2)22-18(12-13-26-23(22)24(20)30)17-10-6-7-11-19(17)28-25(31)16-8-4-3-5-9-16/h3-14,30H,1-2H3,(H,27,29)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia 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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate in presence of NADPH by spectroph...				J Nat Prod 79: 1439-44 (2016) Article DOI: 10.1021/acs.jnatprod.6b00185 BindingDB Entry DOI: 10.7270/Q2CN75T2
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505825 (CHEMBL4559962) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H13F3N2O2/c1-10(24)23-15-6-5-14-13(7-8-22-16(14)17(15)25)11-3-2-4-12(9-11)18(19,20)21/h2-9,25H,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505822 (CHEMBL4514715) Show SMILES CC(C)(C)C(=O)Nc1ccc2c(ccnc2c1O)-c1ccccc1 Show InChI InChI=1S/C20H20N2O2/c1-20(2,3)19(24)22-16-10-9-15-14(13-7-5-4-6-8-13)11-12-21-17(15)18(16)23/h4-12,23H,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505833 (CHEMBL4564777) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccs1 Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505829 (CHEMBL4547004) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccsc1 Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-13-3-2-12-11(10-5-7-20-8-10)4-6-16-14(12)15(13)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505824 (CHEMBL4476462) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C17H13FN2O3/c1-9(21)20-14-4-3-12-11(6-7-19-16(12)17(14)23)13-8-10(18)2-5-15(13)22/h2-8,22-23H,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505823 (CHEMBL4584155) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccoc1 Show InChI InChI=1S/C15H12N2O3/c1-9(18)17-13-3-2-12-11(10-5-7-20-8-10)4-6-16-14(12)15(13)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505834 (CHEMBL4467606) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccc(F)c1 Show InChI InChI=1S/C17H13FN2O2/c1-10(21)20-15-6-5-14-13(7-8-19-16(14)17(15)22)11-3-2-4-12(18)9-11/h2-9,22H,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50260536 (Beta-Glucogallin | CHEBI:15834 | CHEMBL480283) Show SMILES OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG 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
University of Colorado Anschutz Medical Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B1 expressed in Escherichia coli using DL-glyceraldehyde as substrate after 5 mins by spectrophotometry				J Med Chem 57: 71-7 (2014) Article DOI: 10.1021/jm401311d BindingDB Entry DOI: 10.7270/Q2KW5K0S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50495484 (CHEMBL3109109) Show SMILES OC[C@H]1O[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H17NO9/c15-3-7-9(19)10(20)11(21)13(23-7)14-12(22)4-1-5(16)8(18)6(17)2-4/h1-2,7,9-11,13,15-21H,3H2,(H,14,22)/t7-,9-,10+,11-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Anschutz Medical Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B1 expressed in Escherichia coli using DL-glyceraldehyde as substrate after 5 mins by spectrophotometry				J Med Chem 57: 71-7 (2014) Article DOI: 10.1021/jm401311d BindingDB Entry DOI: 10.7270/Q2KW5K0S
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505827 (CHEMBL4575568) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc(ccc1O)C(F)(F)F Show InChI InChI=1S/C18H13F3N2O3/c1-9(24)23-14-4-3-12-11(6-7-22-16(12)17(14)26)13-8-10(18(19,20)21)2-5-15(13)25/h2-8,25-26H,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505835 (CHEMBL4463643) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H14N2O3/c1-11(22)21-15-7-6-14-13(8-9-20-18(14)19(15)23)17-10-12-4-2-3-5-16(12)24-17/h2-10,23H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505821 (CHEMBL4457343) Show SMILES COc1cc(NC(C)=O)c(O)c2nccc(-c3ccccc3NC(=O)c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O4/c1-15(29)27-20-14-21(32-2)22-18(12-13-26-23(22)24(20)30)17-10-6-7-11-19(17)28-25(31)16-8-4-3-5-9-16/h3-14,30H,1-2H3,(H,27,29)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505832 (CHEMBL4462930) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc2c(O)c(NC(C)=O)ccc12 Show InChI InChI=1S/C19H17N3O3/c1-11(23)21-14-5-3-13(4-6-14)15-9-10-20-18-16(15)7-8-17(19(18)25)22-12(2)24/h3-10,25H,1-2H3,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505824 (CHEMBL4476462) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C17H13FN2O3/c1-9(21)20-14-4-3-12-11(6-7-19-16(12)17(14)23)13-8-10(18)2-5-15(13)22/h2-8,22-23H,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505833 (CHEMBL4564777) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccs1 Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505823 (CHEMBL4584155) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccoc1 Show InChI InChI=1S/C15H12N2O3/c1-9(18)17-13-3-2-12-11(10-5-7-20-8-10)4-6-16-14(12)15(13)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505828 (CHEMBL4527023) Show SMILES Oc1ccc(F)cc1-c1ccnc2c(O)c(NC(=O)CCN3CCOCC3)ccc12 Show InChI InChI=1S/C22H22FN3O4/c23-14-1-4-19(27)17(13-14)15-5-7-24-21-16(15)2-3-18(22(21)29)25-20(28)6-8-26-9-11-30-12-10-26/h1-5,7,13,27,29H,6,8-12H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505821 (CHEMBL4457343) Show SMILES COc1cc(NC(C)=O)c(O)c2nccc(-c3ccccc3NC(=O)c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O4/c1-15(29)27-20-14-21(32-2)22-18(12-13-26-23(22)24(20)30)17-10-6-7-11-19(17)28-25(31)16-8-4-3-5-9-16/h3-14,30H,1-2H3,(H,27,29)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505833 (CHEMBL4564777) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1cccs1 Show InChI InChI=1S/C15H12N2O2S/c1-9(18)17-12-5-4-11-10(13-3-2-8-20-13)6-7-16-14(11)15(12)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505823 (CHEMBL4584155) Show SMILES CC(=O)Nc1ccc2c(ccnc2c1O)-c1ccoc1 Show InChI InChI=1S/C15H12N2O3/c1-9(18)17-13-3-2-12-11(10-5-7-20-8-10)4-6-16-14(12)15(13)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505828 (CHEMBL4527023) Show SMILES Oc1ccc(F)cc1-c1ccnc2c(O)c(NC(=O)CCN3CCOCC3)ccc12 Show InChI InChI=1S/C22H22FN3O4/c23-14-1-4-19(27)17(13-14)15-5-7-24-21-16(15)2-3-18(22(21)29)25-20(28)6-8-26-9-11-30-12-10-26/h1-5,7,13,27,29H,6,8-12H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505832 (CHEMBL4462930) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc2c(O)c(NC(C)=O)ccc12 Show InChI InChI=1S/C19H17N3O3/c1-11(23)21-14-5-3-13(4-6-14)15-9-10-20-18-16(15)7-8-17(19(18)25)22-12(2)24/h3-10,25H,1-2H3,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505822 (CHEMBL4514715) Show SMILES CC(C)(C)C(=O)Nc1ccc2c(ccnc2c1O)-c1ccccc1 Show InChI InChI=1S/C20H20N2O2/c1-20(2,3)19(24)22-16-10-9-15-14(13-7-5-4-6-8-13)11-12-21-17(15)18(16)23/h4-12,23H,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50505822 (CHEMBL4514715) Show SMILES CC(C)(C)C(=O)Nc1ccc2c(ccnc2c1O)-c1ccccc1 Show InChI InChI=1S/C20H20N2O2/c1-20(2,3)19(24)22-16-10-9-15-14(13-7-5-4-6-8-13)11-12-21-17(15)18(16)23/h4-12,23H,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065 BindingDB Entry DOI: 10.7270/Q2251NGG
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 51 total )  |  Next  |  Last  >>

Jump to: