Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'fulcrand' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50498270 (CHEBI:52082 | HOE-33258 | HOECHST 33258) Show SMILES CN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1ccc2[nH]c(nc2c1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50498271 (CHEMBL3581009) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C28H26N6O/c1-3-16-35-22-8-4-19(5-9-22)27-29-23-10-6-20(17-25(23)31-27)28-30-24-11-7-21(18-26(24)32-28)34-14-12-33(2)13-15-34/h1,4-11,17-18H,12-16H2,2H3,(H,29,31)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50498270 (CHEBI:52082 | HOE-33258 | HOECHST 33258) Show SMILES CN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1ccc2[nH]c(nc2c1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-2 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50239537 (CHEMBL3981132) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCOCC#C)cc1 Show InChI InChI=1S/C34H38N6O2/c1-3-20-41-21-6-4-5-7-22-42-28-12-8-25(9-13-28)33-35-29-14-10-26(23-31(29)37-33)34-36-30-15-11-27(24-32(30)38-34)40-18-16-39(2)17-19-40/h1,8-15,23-24H,4-7,16-22H2,2H3,(H,35,37)(H,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1 using plasmid pBAD-GFPuv as substrate after 30 mins by agarose gel electrophoresis				J Med Chem 60: 4904-4922 (2017) Article DOI: 10.1021/acs.jmedchem.7b00191 BindingDB Entry DOI: 10.7270/Q2XW4N0B
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50239538 (CHEMBL3953305) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCCCOCC#C)cc1 Show InChI InChI=1S/C40H50N6O2/c1-3-26-47-27-12-10-8-6-4-5-7-9-11-13-28-48-34-18-14-31(15-19-34)39-41-35-20-16-32(29-37(35)43-39)40-42-36-21-17-33(30-38(36)44-40)46-24-22-45(2)23-25-46/h1,14-21,29-30H,4-13,22-28H2,2H3,(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1 using plasmid pBAD-GFPuv as substrate after 30 mins by agarose gel electrophoresis				J Med Chem 60: 4904-4922 (2017) Article DOI: 10.1021/acs.jmedchem.7b00191 BindingDB Entry DOI: 10.7270/Q2XW4N0B
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50498269 (CHEMBL3581012) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCOCC#C)cc1 Show InChI InChI=1S/C32H34N6O2/c1-3-18-39-19-4-5-20-40-26-10-6-23(7-11-26)31-33-27-12-8-24(21-29(27)35-31)32-34-28-13-9-25(22-30(28)36-32)38-16-14-37(2)15-17-38/h1,6-13,21-22H,4-5,14-20H2,2H3,(H,33,35)(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50498273 (CHEMBL3581011) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCC#C)cc1 Show InChI InChI=1S/C36H42N6O/c1-3-4-5-6-7-8-9-10-11-24-43-30-16-12-27(13-17-30)35-37-31-18-14-28(25-33(31)39-35)36-38-32-19-15-29(26-34(32)40-36)42-22-20-41(2)21-23-42/h1,12-19,25-26H,4-11,20-24H2,2H3,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50239536 (CHEMBL3902093) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCOCC#C)cc1 Show InChI InChI=1S/C36H42N6O2/c1-3-22-43-23-8-6-4-5-7-9-24-44-30-14-10-27(11-15-30)35-37-31-16-12-28(25-33(31)39-35)36-38-32-17-13-29(26-34(32)40-36)42-20-18-41(2)19-21-42/h1,10-17,25-26H,4-9,18-24H2,2H3,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 60: 4904-4922 (2017) Article DOI: 10.1021/acs.jmedchem.7b00191 BindingDB Entry DOI: 10.7270/Q2XW4N0B
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50239535 (CHEMBL3973119) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCCCOCC#C)cc1 Show InChI InChI=1S/C38H46N6O2/c1-3-24-45-25-10-8-6-4-5-7-9-11-26-46-32-16-12-29(13-17-32)37-39-33-18-14-30(27-35(33)41-37)38-40-34-19-15-31(28-36(34)42-38)44-22-20-43(2)21-23-44/h1,12-19,27-28H,4-11,20-26H2,2H3,(H,39,41)(H,40,42)	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
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1 using plasmid pBAD-GFPuv as substrate after 30 mins by agarose gel electrophoresis				J Med Chem 60: 4904-4922 (2017) Article DOI: 10.1021/acs.jmedchem.7b00191 BindingDB Entry DOI: 10.7270/Q2XW4N0B
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50394837 (CHEMBL343002 | HOE-33342) Show SMILES CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50239534 (CHEMBL4098769) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc(OCc2cn(CCCCN=[N+]=[N-])nn2)cc1 Show InChI InChI=1S/C25H30N10O/c1-33-12-14-34(15-13-33)21-6-9-23-24(16-21)29-25(28-23)19-4-7-22(8-5-19)36-18-20-17-35(32-30-20)11-3-2-10-27-31-26/h4-9,16-17H,2-3,10-15,18H2,1H3,(H,28,29)	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
Clemson University Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 60: 4904-4922 (2017) Article DOI: 10.1021/acs.jmedchem.7b00191 BindingDB Entry DOI: 10.7270/Q2XW4N0B
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50498272 (CHEMBL3581010) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCC#C)cc1 Show InChI InChI=1S/C31H32N6O/c1-3-4-5-6-19-38-25-11-7-22(8-12-25)30-32-26-13-9-23(20-28(26)34-30)31-33-27-14-10-24(21-29(27)35-31)37-17-15-36(2)16-18-37/h1,7-14,20-21H,4-6,15-19H2,2H3,(H,32,34)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50498271 (CHEMBL3581009) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C28H26N6O/c1-3-16-35-22-8-4-19(5-9-22)27-29-23-10-6-20(17-25(23)31-27)28-30-24-11-7-21(18-26(24)32-28)34-14-12-33(2)13-15-34/h1,4-11,17-18H,12-16H2,2H3,(H,29,31)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase-2 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from...				Medchemcomm 5: 816-825 (2014) Article DOI: 10.1039/c4md00140k BindingDB Entry DOI: 10.7270/Q2ZW1PWK
					More data for this Ligand-Target Pair