Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'lucatello' and Initial = 'l'   

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
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196500 (CHEMBL224754 | trimethyl(2-{6,8,17,19-tetraoxo-18-...) Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CC[N+](C)(C)C)c5=O Show InChI InChI=1S/C34H34N4O4/c1-37(2,3)17-15-35-31(39)23-11-7-19-21-9-13-25-30-26(34(42)36(33(25)41)16-18-38(4,5)6)14-10-22(28(21)30)20-8-12-24(32(35)40)29(23)27(19)20/h7-14H,15-18H2,1-6H3/q+2	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	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196492 (2,9-bis-[2-(2-hydroxy-ethylamino)-ethyl]-anthra[2,...) Show SMILES OCCNCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCNCCO)c5=O Show InChI InChI=1S/C32H28N4O6/c37-15-11-33-9-13-35-29(39)21-5-1-17-18-2-6-23-28-24(32(42)36(31(23)41)14-10-34-12-16-38)8-4-20(26(18)28)19-3-7-22(30(35)40)27(21)25(17)19/h1-8,33-34,37-38H,9-16H2	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	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196500 (CHEMBL224754 | trimethyl(2-{6,8,17,19-tetraoxo-18-...) Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CC[N+](C)(C)C)c5=O Show InChI InChI=1S/C34H34N4O4/c1-37(2,3)17-15-35-31(39)23-11-7-19-21-9-13-25-30-26(34(42)36(33(25)41)16-18-38(4,5)6)14-10-22(28(21)30)20-8-12-24(32(35)40)29(23)27(19)20/h7-14H,15-18H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196491 (2,9-bis-(2-dimethylamino-ethyl)-anthra[2,1,9-def;6...) Show SMILES CN(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCN(C)C)c5=O Show InChI InChI=1S/C32H28N4O4/c1-33(2)13-15-35-29(37)21-9-5-17-19-7-11-23-28-24(32(40)36(31(23)39)16-14-34(3)4)12-8-20(26(19)28)18-6-10-22(30(35)38)27(21)25(17)18/h5-12H,13-16H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196493 ((N,N0-bis[2-(1-piperidino)ethyl]-3,4,9,10-perylene...) Show SMILES O=c1n(CCN2CCCCC2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCN1CCCCC1)c5=O Show InChI InChI=1S/C38H36N4O4/c43-35-27-11-7-23-25-9-13-29-34-30(38(46)42(37(29)45)22-20-40-17-5-2-6-18-40)14-10-26(32(25)34)24-8-12-28(33(27)31(23)24)36(44)41(35)21-19-39-15-3-1-4-16-39/h7-14H,1-6,15-22H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196492 (2,9-bis-[2-(2-hydroxy-ethylamino)-ethyl]-anthra[2,...) Show SMILES OCCNCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCNCCO)c5=O Show InChI InChI=1S/C32H28N4O6/c37-15-11-33-9-13-35-29(39)21-5-1-17-18-2-6-23-28-24(32(42)36(31(23)41)14-10-34-12-16-38)8-4-20(26(18)28)19-3-7-22(30(35)40)27(21)25(17)19/h1-8,33-34,37-38H,9-16H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196499 (2,9-Bis-(2-piperidin-1-yl-ethyl)-1,2,3,8,9,10-hexa...) Show SMILES C(CN1Cc2ccc3c4ccc5CN(CCN6CCCCC6)Cc6ccc(c7ccc(C1)c2c37)c4c56)N1CCCCC1 Show InChI InChI=1S/C38H44N4/c1-3-15-39(16-4-1)19-21-41-23-27-7-11-31-33-13-9-29-25-42(22-20-40-17-5-2-6-18-40)26-30-10-14-34(38(33)36(29)30)32-12-8-28(24-41)35(27)37(31)32/h7-14H,1-6,15-26H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196491 (2,9-bis-(2-dimethylamino-ethyl)-anthra[2,1,9-def;6...) Show SMILES CN(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCN(C)C)c5=O Show InChI InChI=1S/C32H28N4O4/c1-33(2)13-15-35-29(37)21-9-5-17-19-7-11-23-28-24(32(40)36(31(23)39)16-14-34(3)4)12-8-20(26(19)28)18-6-10-22(30(35)38)27(21)25(17)18/h5-12H,13-16H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196501 (2,7-bis-(2-dimethylamino-ethyl)-benzo[lmn][3,8]phe...) Show SMILES CN(C)CCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCN(C)C)c3=O Show InChI InChI=1S/C22H24N4O4/c1-23(2)9-11-25-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(25)28)22(30)26(21(15)29)12-10-24(3)4/h5-8H,9-12H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196495 (CHEMBL225507 | trimethyl(2-{5,7,12,14-tetraoxo-13-...) Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CC[N+](C)(C)C)c3=O Show InChI InChI=1S/C24H30N4O4/c1-27(2,3)13-11-25-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(25)30)24(32)26(23(17)31)12-14-28(4,5)6/h7-10H,11-14H2,1-6H3/q+2	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196498 (CHEMBL275860 | NDI-1 | trimethyl(3-{5,7,12,14-tetr...) Show SMILES C[N+](C)(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCC[N+](C)(C)C)c3=O Show InChI InChI=1S/C26H34N4O4/c1-29(2,3)15-7-13-27-23(31)17-9-11-19-22-20(12-10-18(21(17)22)24(27)32)26(34)28(25(19)33)14-8-16-30(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50196503 (2,7-Bis-(3-dimethylamino-propyl)-benzo[lmn][3,8]ph...) Show SMILES CN(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCN(C)C)c3=O Show InChI InChI=1S/C24H28N4O4/c1-25(2)11-5-13-27-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(27)30)24(32)28(23(17)31)14-6-12-26(3)4/h7-10H,5-6,11-14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196493 ((N,N0-bis[2-(1-piperidino)ethyl]-3,4,9,10-perylene...) Show SMILES O=c1n(CCN2CCCCC2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCN1CCCCC1)c5=O Show InChI InChI=1S/C38H36N4O4/c43-35-27-11-7-23-25-9-13-29-34-30(38(46)42(37(29)45)22-20-40-17-5-2-6-18-40)14-10-26(32(25)34)24-8-12-28(33(27)31(23)24)36(44)41(35)21-19-39-15-3-1-4-16-39/h7-14H,1-6,15-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196498 (CHEMBL275860 | NDI-1 | trimethyl(3-{5,7,12,14-tetr...) Show SMILES C[N+](C)(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCC[N+](C)(C)C)c3=O Show InChI InChI=1S/C26H34N4O4/c1-29(2,3)15-7-13-27-23(31)17-9-11-19-22-20(12-10-18(21(17)22)24(27)32)26(34)28(25(19)33)14-8-16-30(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196495 (CHEMBL225507 | trimethyl(2-{5,7,12,14-tetraoxo-13-...) Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CC[N+](C)(C)C)c3=O Show InChI InChI=1S/C24H30N4O4/c1-27(2,3)13-11-25-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(25)30)24(32)26(23(17)31)12-14-28(4,5)6/h7-10H,11-14H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196496 (2,7-bis-[2-(2-hydroxy-ethylamino)-ethyl]-benzo[lmn...) Show SMILES OCCNCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCNCCO)c3=O Show InChI InChI=1S/C22H24N4O6/c27-11-7-23-5-9-25-19(29)13-1-2-14-18-16(4-3-15(17(13)18)21(25)31)22(32)26(20(14)30)10-6-24-8-12-28/h1-4,23-24,27-28H,5-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196503 (2,7-Bis-(3-dimethylamino-propyl)-benzo[lmn][3,8]ph...) Show SMILES CN(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCN(C)C)c3=O Show InChI InChI=1S/C24H28N4O4/c1-25(2)11-5-13-27-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(27)30)24(32)28(23(17)31)14-6-12-26(3)4/h7-10H,5-6,11-14H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196499 (2,9-Bis-(2-piperidin-1-yl-ethyl)-1,2,3,8,9,10-hexa...) Show SMILES C(CN1Cc2ccc3c4ccc5CN(CCN6CCCCC6)Cc6ccc(c7ccc(C1)c2c37)c4c56)N1CCCCC1 Show InChI InChI=1S/C38H44N4/c1-3-15-39(16-4-1)19-21-41-23-27-7-11-31-33-13-9-29-25-42(22-20-40-17-5-2-6-18-40)26-30-10-14-34(38(33)36(29)30)32-12-8-28(24-41)35(27)37(31)32/h7-14H,1-6,15-26H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196504 (CHEMBL388102 | [2-(1,3-dioxo-1H,3H-benzo[de]isoqui...) Show SMILES C[N+](C)(C)CCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C17H19N2O2/c1-19(2,3)11-10-18-16(20)13-8-4-6-12-7-5-9-14(15(12)13)17(18)21/h4-9H,10-11H2,1-3H3/q+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196494 (CHEMBL225508 | {2-[7-(2-dimethylamino-ethyl)-3,6,7...) Show SMILES CN(C)CCN1Cc2ccc3CN(CCN(C)C)Cc4ccc(C1)c2c34 Show InChI InChI=1S/C22H32N4/c1-23(2)9-11-25-13-17-5-7-19-15-26(12-10-24(3)4)16-20-8-6-18(14-25)21(17)22(19)20/h5-8H,9-16H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196497 (CHEMBL225208 | [2-(1H,3H-benzo[de]isoquinolin-2-yl...) Show SMILES CN(C)CCN1Cc2cccc3cccc(C1)c23 Show InChI InChI=1S/C16H20N2/c1-17(2)9-10-18-11-14-7-3-5-13-6-4-8-15(12-18)16(13)14/h3-8H,9-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50024717 (2-(2-Dimethylamino-ethyl)-benzo[de]isoquinoline-1,...) Show SMILES CN(C)CCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C16H16N2O2/c1-17(2)9-10-18-15(19)12-7-3-5-11-6-4-8-13(14(11)12)16(18)20/h3-8H,9-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
DNA polymerase I, thermostable (Thermus aquaticus)	BDBM50196502 (2,7-dimethyl-1,2,3,6,7,8-hexahydro-benzo[lmn][3,8]...) Show SMILES CN1Cc2ccc3CN(C)Cc4ccc(C1)c2c34 Show InChI InChI=1S/C16H18N2/c1-17-7-11-3-5-13-9-18(2)10-14-6-4-12(8-17)15(11)16(13)14/h3-6H,7-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem 15: 555-62 (2006) Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H
					More data for this Ligand-Target Pair
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

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