Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'fox' and Initial = 'kr'   

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 polymerase I, thermostable (Thermus aquaticus)	BDBM50253653 (2-Amino-N-[6-(2-amino-acetylamino)-9,10-dioxo-9,10...) Show SMILES NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CN)ccc3C(=O)c2c1 Show InChI InChI=1S/C18H16N4O4/c19-7-15(23)21-9-1-3-11-13(5-9)18(26)12-4-2-10(22-16(24)8-20)6-14(12)17(11)25/h1-6H,7-8,19-20H2,(H,21,23)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253653 (2-Amino-N-[6-(2-amino-acetylamino)-9,10-dioxo-9,10...) Show SMILES NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CN)ccc3C(=O)c2c1 Show InChI InChI=1S/C18H16N4O4/c19-7-15(23)21-9-1-3-11-13(5-9)18(26)12-4-2-10(22-16(24)8-20)6-14(12)17(11)25/h1-6H,7-8,19-20H2,(H,21,23)(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253819 ((2S)-2-amino-N-(2-{[7-({2-[(2S)-2-amino-3-hydroxyp...) Show SMILES N[C@@H](CO)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C26H30N6O8/c27-19(11-33)25(39)31-7-5-29-23(37)13-1-3-15-17(9-13)22(36)18-10-14(2-4-16(18)21(15)35)24(38)30-6-8-32-26(40)20(28)12-34/h1-4,9-10,19-20,33-34H,5-8,11-12,27-28H2,(H,29,37)(H,30,38)(H,31,39)(H,32,40)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253790 ((2S,3R)-2-amino-N-(2-{[7-({2-[(2S,3R)-2-amino-3-hy...) Show SMILES C[C@@H](O)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C28H34N6O8/c1-13(35)21(29)27(41)33-9-7-31-25(39)15-3-5-17-19(11-15)24(38)20-12-16(4-6-18(20)23(17)37)26(40)32-8-10-34-28(42)22(30)14(2)36/h3-6,11-14,21-22,35-36H,7-10,29-30H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t13-,14-,21+,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253789 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES CC(C)C[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CC(C)C |r| Show InChI InChI=1S/C32H42N6O6/c1-17(2)13-25(33)31(43)37-11-9-35-29(41)19-5-7-21-23(15-19)28(40)24-16-20(6-8-22(24)27(21)39)30(42)36-10-12-38-32(44)26(34)14-18(3)4/h5-8,15-18,25-26H,9-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253788 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)CC |r| Show InChI InChI=1S/C32H42N6O6/c1-5-17(3)25(33)31(43)37-13-11-35-29(41)19-7-9-21-23(15-19)28(40)24-16-20(8-10-22(24)27(21)39)30(42)36-12-14-38-32(44)26(34)18(4)6-2/h7-10,15-18,25-26H,5-6,11-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t17-,18-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253787 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES NCC(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)CN Show InChI InChI=1S/C24H26N6O6/c25-11-19(31)27-5-7-29-23(35)13-1-3-15-17(9-13)22(34)18-10-14(2-4-16(18)21(15)33)24(36)30-8-6-28-20(32)12-26/h1-4,9-10H,5-8,11-12,25-26H2,(H,27,31)(H,28,32)(H,29,35)(H,30,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253786 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc2-[#6](=O)-c3ccc(cc3-[#6](=O)-c2c1)-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C32H44N12O6/c33-23(3-1-9-43-31(35)36)29(49)41-13-11-39-27(47)17-5-7-19-21(15-17)26(46)22-16-18(6-8-20(22)25(19)45)28(48)40-12-14-42-30(50)24(34)4-2-10-44-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H4,35,36,43)(H4,37,38,44)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253785 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES NCCCC[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CCCCN |r| Show InChI InChI=1S/C32H44N8O6/c33-11-3-1-5-25(35)31(45)39-15-13-37-29(43)19-7-9-21-23(17-19)28(42)24-18-20(8-10-22(24)27(21)41)30(44)38-14-16-40-32(46)26(36)6-2-4-12-34/h7-10,17-18,25-26H,1-6,11-16,33-36H2,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253784 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES C[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@H](C)N |r| Show InChI InChI=1S/C26H30N6O6/c1-13(27)23(35)29-7-9-31-25(37)15-3-5-17-19(11-15)22(34)20-12-16(4-6-18(20)21(17)33)26(38)32-10-8-30-24(36)14(2)28/h3-6,11-14H,7-10,27-28H2,1-2H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t13-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253783 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)43-17-15-41-35(47)25-11-13-27-29(21-25)34(46)30-22-26(12-14-28(30)33(27)45)36(48)42-16-18-44-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253782 (2-{[(7-{[(2-ammonioethyl)amino]carbonyl}-9,10-diox...) Show SMILES NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCN Show InChI InChI=1S/C20H20N4O4/c21-5-7-23-19(27)11-1-3-13-15(9-11)18(26)16-10-12(20(28)24-8-6-22)2-4-14(16)17(13)25/h1-4,9-10H,5-8,21-22H2,(H,23,27)(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253781 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES N[C@@H](CO)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C26H30N6O8/c27-19(11-33)25(39)31-7-5-29-23(37)13-1-3-15-17(9-13)22(36)16-4-2-14(10-18(16)21(15)35)24(38)30-6-8-32-26(40)20(28)12-34/h1-4,9-10,19-20,33-34H,5-8,11-12,27-28H2,(H,29,37)(H,30,38)(H,31,39)(H,32,40)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253731 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES C[C@@H](O)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C28H34N6O8/c1-13(35)21(29)27(41)33-9-7-31-25(39)15-3-5-17-19(11-15)23(37)18-6-4-16(12-20(18)24(17)38)26(40)32-8-10-34-28(42)22(30)14(2)36/h3-6,11-14,21-22,35-36H,7-10,29-30H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t13-,14-,21+,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253730 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES CC(C)C[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CC(C)C |r| Show InChI InChI=1S/C32H42N6O6/c1-17(2)13-25(33)31(43)37-11-9-35-29(41)19-5-7-21-23(15-19)27(39)22-8-6-20(16-24(22)28(21)40)30(42)36-10-12-38-32(44)26(34)14-18(3)4/h5-8,15-18,25-26H,9-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253729 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)CC |r| Show InChI InChI=1S/C32H42N6O6/c1-5-17(3)25(33)31(43)37-13-11-35-29(41)19-7-9-21-23(15-19)27(39)22-10-8-20(16-24(22)28(21)40)30(42)36-12-14-38-32(44)26(34)18(4)6-2/h7-10,15-18,25-26H,5-6,11-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t17-,18-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253728 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES NCC(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)CN Show InChI InChI=1S/C24H26N6O6/c25-11-19(31)27-5-7-29-23(35)13-1-3-15-17(9-13)22(34)16-4-2-14(10-18(16)21(15)33)24(36)30-8-6-28-20(32)12-26/h1-4,9-10H,5-8,11-12,25-26H2,(H,27,31)(H,28,32)(H,29,35)(H,30,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253727 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc2-[#6](=O)-c3cc(ccc3-[#6](=O)-c2c1)-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r| Show InChI InChI=1S/C32H44N12O6/c33-23(3-1-9-43-31(35)36)29(49)41-13-11-39-27(47)17-5-7-19-21(15-17)25(45)20-8-6-18(16-22(20)26(19)46)28(48)40-12-14-42-30(50)24(34)4-2-10-44-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H4,35,36,43)(H4,37,38,44)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253726 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES NCCCC[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CCCCN |r| Show InChI InChI=1S/C32H44N8O6/c33-11-3-1-5-25(35)31(45)39-15-13-37-29(43)19-7-9-21-23(17-19)27(41)22-10-8-20(18-24(22)28(21)42)30(44)38-14-16-40-32(46)26(36)6-2-4-12-34/h7-10,17-18,25-26H,1-6,11-16,33-36H2,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253725 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES C[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@H](C)N |r| Show InChI InChI=1S/C26H30N6O6/c1-13(27)23(35)29-7-9-31-25(37)15-3-5-17-19(11-15)21(33)18-6-4-16(12-20(18)22(17)34)26(38)32-10-8-30-24(36)14(2)28/h3-6,11-14H,7-10,27-28H2,1-2H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t13-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253724 (9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxyli...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)43-17-15-41-35(47)25-11-13-27-29(21-25)33(45)28-14-12-26(22-30(28)34(27)46)36(48)42-16-18-44-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253723 (2-{[(6-{[(2-ammonioethyl)amino]carbonyl}-9,10-diox...) Show SMILES NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCN Show InChI InChI=1S/C20H20N4O4/c21-5-7-23-19(27)11-1-3-13-15(9-11)18(26)14-4-2-12(10-16(14)17(13)25)20(28)24-8-6-22/h1-4,9-10H,5-8,21-22H2,(H,23,27)(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253722 ((2S,3S)-2-Amino-3-methyl-pentanoic acid (2-{7-[3-(...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)[C@@H](C)CC)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C32H42N6O6/c1-5-17(3)27(33)31(43)35-13-11-25(39)37-19-7-9-21-23(15-19)30(42)24-16-20(8-10-22(24)29(21)41)38-26(40)12-14-36-32(44)28(34)18(4)6-2/h7-10,15-18,27-28H,5-6,11-14,33-34H2,1-4H3,(H,35,43)(H,36,44)(H,37,39)(H,38,40)/t17-,18-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253721 ((S)-2-Amino-5-guanidino-pentanoic acid (2-{7-[3-((...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc2-[#6](=O)-c3ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])cc3-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C32H44N12O6/c33-23(3-1-11-41-31(35)36)29(49)39-13-9-25(45)43-17-5-7-19-21(15-17)28(48)22-16-18(6-8-20(22)27(19)47)44-26(46)10-14-40-30(50)24(34)4-2-12-42-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,49)(H,40,50)(H,43,45)(H,44,46)(H4,35,36,41)(H4,37,38,42)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253720 ((S)-2,6-Diamino-hexanoic acid (2-{7-[3-((S)-2,6-di...) Show SMILES NCCCC[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)CCCCN)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C32H44N8O6/c33-13-3-1-5-25(35)31(45)37-15-11-27(41)39-19-7-9-21-23(17-19)30(44)24-18-20(8-10-22(24)29(21)43)40-28(42)12-16-38-32(46)26(36)6-2-4-14-34/h7-10,17-18,25-26H,1-6,11-16,33-36H2,(H,37,45)(H,38,46)(H,39,41)(H,40,42)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253719 ((S)-2-Amino-N-(2-{7-[3-((S)-2-amino-propionylamino...) Show SMILES C[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@H](C)N)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C26H30N6O6/c1-13(27)25(37)29-9-7-21(33)31-15-3-5-17-19(11-15)24(36)20-12-16(4-6-18(20)23(17)35)32-22(34)8-10-30-26(38)14(2)28/h3-6,11-14H,7-10,27-28H2,1-2H3,(H,29,37)(H,30,38)(H,31,33)(H,32,34)/t13-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253694 ((S)-2-Amino-N-(2-{7-[3-((S)-2-amino-3-phenyl-propi...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)Cc4ccccc4)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)41-17-15-33(45)43-25-11-13-27-29(21-25)36(48)30-22-26(12-14-28(30)35(27)47)44-34(46)16-18-42-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,49)(H,42,50)(H,43,45)(H,44,46)/t31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253693 (3-({7-[(3-ammoniopropanoyl)amino]-9,10-dioxo-9,10-...) Show SMILES NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCN)cc3C(=O)c2c1 Show InChI InChI=1S/C20H20N4O4/c21-7-5-17(25)23-11-1-3-13-15(9-11)20(28)16-10-12(24-18(26)6-8-22)2-4-14(16)19(13)27/h1-4,9-10H,5-8,21-22H2,(H,23,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253692 ((S)-2-Amino-N-(2-{6-[3-((S)-2-amino-3-methyl-butyr...) Show SMILES CC(C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@@H](N)C(C)C)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C30H38N6O6/c1-15(2)25(31)29(41)33-11-9-23(37)35-17-5-7-19-21(13-17)27(39)20-8-6-18(14-22(20)28(19)40)36-24(38)10-12-34-30(42)26(32)16(3)4/h5-8,13-16,25-26H,9-12,31-32H2,1-4H3,(H,33,41)(H,34,42)(H,35,37)(H,36,38)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253691 ((2S,3S)-2-Amino-3-methyl-pentanoic acid (2-{6-[3-(...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@@H](N)[C@@H](C)CC)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C32H42N6O6/c1-5-17(3)27(33)31(43)35-13-11-25(39)37-19-7-9-21-23(15-19)29(41)22-10-8-20(16-24(22)30(21)42)38-26(40)12-14-36-32(44)28(34)18(4)6-2/h7-10,15-18,27-28H,5-6,11-14,33-34H2,1-4H3,(H,35,43)(H,36,44)(H,37,39)(H,38,40)/t17-,18-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253690 ((S)-2-Amino-5-guanidino-pentanoic acid (2-{6-[3-((...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc2-[#6](=O)-c3cc(-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])ccc3-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C32H44N12O6/c33-23(3-1-11-41-31(35)36)29(49)39-13-9-25(45)43-17-5-7-19-21(15-17)27(47)20-8-6-18(16-22(20)28(19)48)44-26(46)10-14-40-30(50)24(34)4-2-12-42-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,49)(H,40,50)(H,43,45)(H,44,46)(H4,35,36,41)(H4,37,38,42)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253689 ((S)-2,6-Diamino-hexanoic acid (2-{6-[3-((S)-2,6-di...) Show SMILES NCCCC[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@@H](N)CCCCN)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C32H44N8O6/c33-13-3-1-5-25(35)31(45)37-15-11-27(41)39-19-7-9-21-23(17-19)29(43)22-10-8-20(18-24(22)30(21)44)40-28(42)12-16-38-32(46)26(36)6-2-4-14-34/h7-10,17-18,25-26H,1-6,11-16,33-36H2,(H,37,45)(H,38,46)(H,39,41)(H,40,42)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253688 ((S)-2-Amino-N-(2-{6-[3-((S)-2-amino-propionylamino...) Show SMILES C[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@H](C)N)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C26H30N6O6/c1-13(27)25(37)29-9-7-21(33)31-15-3-5-17-19(11-15)23(35)18-6-4-16(12-20(18)24(17)36)32-22(34)8-10-30-26(38)14(2)28/h3-6,11-14H,7-10,27-28H2,1-2H3,(H,29,37)(H,30,38)(H,31,33)(H,32,34)/t13-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253687 ((S)-2-Amino-N-(2-{6-[3-((S)-2-amino-3-phenyl-propi...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCNC(=O)[C@@H](N)Cc4ccccc4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)41-17-15-33(45)43-25-11-13-27-29(21-25)35(47)28-14-12-26(22-30(28)36(27)48)44-34(46)16-18-42-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,49)(H,42,50)(H,43,45)(H,44,46)/t31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253686 (3-({6-[(3-ammoniopropanoyl)amino]-9,10-dioxo-9,10-...) Show SMILES NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCN)ccc3C(=O)c2c1 Show InChI InChI=1S/C20H20N4O4/c21-7-5-17(25)23-11-1-3-13-15(9-11)20(28)14-4-2-12(10-16(14)19(13)27)24-18(26)6-8-22/h1-4,9-10H,5-8,21-22H2,(H,23,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253652 ((S)-2-Amino-N-({6-[2-((S)-2-amino-3-methyl-butyryl...) Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C28H34N6O6/c1-13(2)23(29)27(39)31-11-21(35)33-15-5-7-17-19(9-15)25(37)18-8-6-16(10-20(18)26(17)38)34-22(36)12-32-28(40)24(30)14(3)4/h5-10,13-14,23-24H,11-12,29-30H2,1-4H3,(H,31,39)(H,32,40)(H,33,35)(H,34,36)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253685 (CHEMBL499147 | N-(9,10-dioxo-6-{2-[(2S)-pyrrolidin...) Show SMILES O=C(CNC(=O)[C@@H]1CCCN1)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H]4CCCN4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C28H30N6O6/c35-23(13-31-27(39)21-3-1-9-29-21)33-15-5-7-17-19(11-15)25(37)18-8-6-16(12-20(18)26(17)38)34-24(36)14-32-28(40)22-4-2-10-30-22/h5-8,11-12,21-22,29-30H,1-4,9-10,13-14H2,(H,31,39)(H,32,40)(H,33,35)(H,34,36)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253651 (CHEMBL510879 | S)-2-Amino-4-methyl-pentanoic acid ...) Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)CC(C)C)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C30H38N6O6/c1-15(2)9-23(31)29(41)33-13-25(37)35-17-5-7-19-21(11-17)27(39)20-8-6-18(12-22(20)28(19)40)36-26(38)14-34-30(42)24(32)10-16(3)4/h5-8,11-12,15-16,23-24H,9-10,13-14,31-32H2,1-4H3,(H,33,41)(H,34,42)(H,35,37)(H,36,38)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253684 ((2S,3S)-2-Amino-3-methyl-pentanoic acid ({6-[2-((2...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C30H38N6O6/c1-5-15(3)25(31)29(41)33-13-23(37)35-17-7-9-19-21(11-17)27(39)20-10-8-18(12-22(20)28(19)40)36-24(38)14-34-30(42)26(32)16(4)6-2/h7-12,15-16,25-26H,5-6,13-14,31-32H2,1-4H3,(H,33,41)(H,34,42)(H,35,37)(H,36,38)/t15-,16-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253683 (2-Amino-N-({6-[2-(2-amino-acetylamino)-acetylamino...) Show SMILES NCC(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)CN)ccc3C(=O)c2c1 Show InChI InChI=1S/C22H22N6O6/c23-7-17(29)25-9-19(31)27-11-1-3-13-15(5-11)22(34)14-4-2-12(6-16(14)21(13)33)28-20(32)10-26-18(30)8-24/h1-6H,7-10,23-24H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253657 ((S)-2-Amino-5-guanidino-pentanoic acid ({6-[2-((S)...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-c1ccc2-[#6](=O)-c3cc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])ccc3-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C30H40N12O6/c31-21(3-1-9-37-29(33)34)27(47)39-13-23(43)41-15-5-7-17-19(11-15)25(45)18-8-6-16(12-20(18)26(17)46)42-24(44)14-40-28(48)22(32)4-2-10-38-30(35)36/h5-8,11-12,21-22H,1-4,9-10,13-14,31-32H2,(H,39,47)(H,40,48)(H,41,43)(H,42,44)(H4,33,34,37)(H4,35,36,38)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253656 ((S)-2,6-Diamino-hexanoic acid ({6-[2-((S)-2,6-diam...) Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)CCCCN)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C30H40N8O6/c31-11-3-1-5-23(33)29(43)35-15-25(39)37-17-7-9-19-21(13-17)27(41)20-10-8-18(14-22(20)28(19)42)38-26(40)16-36-30(44)24(34)6-2-4-12-32/h7-10,13-14,23-24H,1-6,11-12,15-16,31-34H2,(H,35,43)(H,36,44)(H,37,39)(H,38,40)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253655 ((S)-2-Amino-N-({6-[2-((S)-2-amino-propionylamino)-...) Show SMILES C[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@H](C)N)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C24H26N6O6/c1-11(25)23(35)27-9-19(31)29-13-3-5-15-17(7-13)21(33)16-6-4-14(8-18(16)22(15)34)30-20(32)10-28-24(36)12(2)26/h3-8,11-12H,9-10,25-26H2,1-2H3,(H,27,35)(H,28,36)(H,29,31)(H,30,32)/t11-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50253654 ((S)-2-Amino-N-({6-[2-((S)-2-amino-3-phenyl-propion...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)Cc4ccccc4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C36H34N6O6/c37-29(15-21-7-3-1-4-8-21)35(47)39-19-31(43)41-23-11-13-25-27(17-23)33(45)26-14-12-24(18-28(26)34(25)46)42-32(44)20-40-36(48)30(38)16-22-9-5-2-6-10-22/h1-14,17-18,29-30H,15-16,19-20,37-38H2,(H,39,47)(H,40,48)(H,41,43)(H,42,44)/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253819 ((2S)-2-amino-N-(2-{[7-({2-[(2S)-2-amino-3-hydroxyp...) Show SMILES N[C@@H](CO)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C26H30N6O8/c27-19(11-33)25(39)31-7-5-29-23(37)13-1-3-15-17(9-13)22(36)18-10-14(2-4-16(18)21(15)35)24(38)30-6-8-32-26(40)20(28)12-34/h1-4,9-10,19-20,33-34H,5-8,11-12,27-28H2,(H,29,37)(H,30,38)(H,31,39)(H,32,40)/t19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253790 ((2S,3R)-2-amino-N-(2-{[7-({2-[(2S,3R)-2-amino-3-hy...) Show SMILES C[C@@H](O)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)O |r| Show InChI InChI=1S/C28H34N6O8/c1-13(35)21(29)27(41)33-9-7-31-25(39)15-3-5-17-19(11-15)24(38)20-12-16(4-6-18(20)23(17)37)26(40)32-8-10-34-28(42)22(30)14(2)36/h3-6,11-14,21-22,35-36H,7-10,29-30H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t13-,14-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253789 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES CC(C)C[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CC(C)C |r| Show InChI InChI=1S/C32H42N6O6/c1-17(2)13-25(33)31(43)37-11-9-35-29(41)19-5-7-21-23(15-19)28(40)24-16-20(6-8-22(24)27(21)39)30(42)36-10-12-38-32(44)26(34)14-18(3)4/h5-8,15-18,25-26H,9-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253788 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)CC |r| Show InChI InChI=1S/C32H42N6O6/c1-5-17(3)25(33)31(43)37-13-11-35-29(41)19-7-9-21-23(15-19)28(40)24-16-20(8-10-22(24)27(21)39)30(42)36-12-14-38-32(44)26(34)18(4)6-2/h7-10,15-18,25-26H,5-6,11-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t17-,18-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253787 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES NCC(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)CN Show InChI InChI=1S/C24H26N6O6/c25-11-19(31)27-5-7-29-23(35)13-1-3-15-17(9-13)22(34)18-10-14(2-4-16(18)21(15)33)24(36)30-8-6-28-20(32)12-26/h1-4,9-10H,5-8,11-12,25-26H2,(H,27,31)(H,28,32)(H,29,35)(H,30,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50253786 (9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxyli...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc2-[#6](=O)-c3ccc(cc3-[#6](=O)-c2c1)-[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C32H44N12O6/c33-23(3-1-9-43-31(35)36)29(49)41-13-11-39-27(47)17-5-7-19-21(15-17)26(46)22-16-18(6-8-20(22)25(19)45)28(48)40-12-14-42-30(50)24(34)4-2-10-44-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H4,35,36,43)(H4,37,38,44)/t23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in human JR8 cells by TRAP assay				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
					More data for this Ligand-Target Pair

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