Compile Data Set for Download or QSAR

Found 659 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 1'   

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
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50534270 (CHEMBL4464463) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)CC1 Show InChI InChI=1S/C29H32FN7O5S/c1-4-36-16-23(28(39)40)27(38)22-14-24(30)26(15-25(22)36)37-11-9-35(10-12-37)17-31-20-5-7-21(8-6-20)43(41,42)34-29-32-18(2)13-19(3)33-29/h5-8,13-16,31H,4,9-12,17H2,1-3H3,(H,39,40)(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 15 mins by PAGE analysis				Bioorg Med Chem 24: 5017-5027 (2016) Article DOI: 10.1016/j.bmc.2016.09.045 BindingDB Entry DOI: 10.7270/Q27D2ZNS
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546508 (CHEMBL4746230) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\c1nc(cs1)-c1c2-[#8]-[#6]3=[#6]-[#6](-[#8])=[#6](-[#6](-[#6])=O)-[#6](=O)[C@]3([#6])c2c(-[#8])c(-[#6])c1-[#8] |r,t:18,21| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM60996 (5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3| Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 20 mins by PAGE analysis				Bioorg Med Chem 24: 5017-5027 (2016) Article DOI: 10.1016/j.bmc.2016.09.045 BindingDB Entry DOI: 10.7270/Q27D2ZNS
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546509 (CHEMBL4760174) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-c1nc(cs1)-c1c2-[#8]-[#6]3=[#6]-[#6](-[#8])=[#6](-[#6](-[#6])=O)-[#6](=O)[C@]3([#6])c2c(-[#8])c(-[#6])c1-[#8] |r,t:18,21| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50589478 (CHEMBL5187480) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#7]\[#7]-c1nc(cs1)-c1c2-[#8]-[#6]3=[#6]-[#6](-[#8])=[#6](-[#6](-[#6])=O)-[#6](=O)[C@]3([#6])c2c(-[#8])c(-[#6])c1-[#8] |r,t:21,24| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128909 BindingDB Entry DOI: 10.7270/Q2833WZK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM60996 (5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3| Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli Rosetta2(DE3) using 3'-FITC labeled 13-mer DNA as substrate by Gyrasol ...				Bioorg Med Chem 24: 5017-5027 (2016) Article DOI: 10.1016/j.bmc.2016.09.045 BindingDB Entry DOI: 10.7270/Q27D2ZNS
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50534268 (CHEMBL4571632) Show SMILES COc1c(N2CCN(CNc3ccc(cc3)S(=O)(=O)Nc3nc(C)cc(C)n3)C(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C32H36FN7O6S/c1-18-13-19(2)36-32(35-18)37-47(44,45)23-9-5-21(6-10-23)34-17-39-12-11-38(15-20(39)3)28-26(33)14-24-27(30(28)46-4)40(22-7-8-22)16-25(29(24)41)31(42)43/h5-6,9-10,13-14,16,20,22,34H,7-8,11-12,15,17H2,1-4H3,(H,42,43)(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 15 mins by PAGE analysis				Bioorg Med Chem 24: 5017-5027 (2016) Article DOI: 10.1016/j.bmc.2016.09.045 BindingDB Entry DOI: 10.7270/Q27D2ZNS
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463376 (CHEMBL4244758) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C |r,c:3,t:6| Show InChI InChI=1S/C33H34O8/c1-14-25(36)24-29(41-21-13-19(35)22(15(2)34)30(39)33(21,24)9)23-27(38)20(40-28(14)23)11-16-10-17(31(3,4)5)12-18(26(16)37)32(6,7)8/h10-13,35-37H,1-9H3/b20-11-/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507151 (CHEMBL4438274) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(Br)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20BrN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507151 (CHEMBL4438274) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(Br)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20BrN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128909 BindingDB Entry DOI: 10.7270/Q2833WZK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546512 (CHEMBL4799682) Show SMILES CC(=C)[C@@H]1CCC(\C=N/Nc2nc(cs2)-c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c2O)=CC1 |r,c:40,t:19,22| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546515 (CHEMBL4756604) Show SMILES [H][C@@]12CC[C@@](C)(\C(C1)=N/Nc1nc(cs1)-c1c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c1O)C2(C)C |r,t:20,23| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507140 (CHEMBL4440514) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(cc4)[N+]([O-])=O)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20N4O8S/c1-11-21(33)19(15-10-39-25(28-15)29-27-9-13-4-6-14(7-5-13)30(36)37)23-20(22(11)34)26(3)17(38-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,28,29)/b27-9+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546513 (CHEMBL4761724) Show SMILES [H][C@@]12C[C@@]([H])(C=C(C1)\C=N/Nc1nc(cs1)-c1c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c1O)C2(C)C |r,c:5,t:21,24| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546514 (CHEMBL4750455) Show SMILES [H][C@@]12C[C@@]([H])(C(C=C1C)=NNc1nc(cs1)-c1c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c1O)C2(C)C |r,c:6,t:21,24| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463381 (CHEMBL4241424) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(Br)s1 |r,c:3,t:6| Show InChI InChI=1S/C23H15BrO7S/c1-8-18(27)17-21(31-13-7-11(26)15(9(2)25)22(29)23(13,17)3)16-19(28)12(30-20(8)16)6-10-4-5-14(24)32-10/h4-7,26-27H,1-3H3/b12-6-/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463368 (CHEMBL4250901) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@]2(C)C1=O)=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C |r,c:3,t:6| Show InChI InChI=1S/C33H34O8/c1-14-25(36)24-29(41-21-13-19(35)22(15(2)34)30(39)33(21,24)9)23-27(38)20(40-28(14)23)11-16-10-17(31(3,4)5)12-18(26(16)37)32(6,7)8/h10-13,35-37H,1-9H3/b20-11-/t33-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507150 (CHEMBL4440114) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(Cl)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20ClN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463384 (CHEMBL4242066) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@]2(C)C1=O)=C\c1ccc(Br)s1 |r,c:3,t:6| Show InChI InChI=1S/C23H15BrO7S/c1-8-18(27)17-21(31-13-7-11(26)15(9(2)25)22(29)23(13,17)3)16-19(28)12(30-20(8)16)6-10-4-5-14(24)32-10/h4-7,26-27H,1-3H3/b12-6-/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507155 (CHEMBL4587610) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4cccc(c4)[N+]([O-])=O)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20N4O8S/c1-11-21(33)19(15-10-39-25(28-15)29-27-9-13-5-4-6-14(7-13)30(36)37)23-20(22(11)34)26(3)17(38-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,28,29)/b27-9+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546511 (CHEMBL4745693) Show SMILES CCCCCCc1nc(cs1)-c1c2OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c2c(O)c(C)c1O |r,t:15,18| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530468 (CHEMBL4436247) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C(C)C |r| Show InChI InChI=1S/C52H80N4O2/c1-34(2)36-14-18-41-38(26-36)16-20-43-49(8,22-12-24-51(41,43)10)32-54-45(57)53-31-48(7)29-40(28-47(5,6)30-48)56-46(58)55-33-50(9)23-13-25-52(11)42-19-15-37(35(3)4)27-39(42)17-21-44(50)52/h14-15,18-19,26-27,34-35,40,43-44H,12-13,16-17,20-25,28-33H2,1-11H3,(H2,53,54,57)(H2,55,56,58)/t40?,43-,44-,48?,49-,50-,51+,52+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530468 (CHEMBL4436247) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C(C)C |r| Show InChI InChI=1S/C52H80N4O2/c1-34(2)36-14-18-41-38(26-36)16-20-43-49(8,22-12-24-51(41,43)10)32-54-45(57)53-31-48(7)29-40(28-47(5,6)30-48)56-46(58)55-33-50(9)23-13-25-52(11)42-19-15-37(35(3)4)27-39(42)17-21-44(50)52/h14-15,18-19,26-27,34-35,40,43-44H,12-13,16-17,20-25,28-33H2,1-11H3,(H2,53,54,57)(H2,55,56,58)/t40?,43-,44-,48?,49-,50-,51+,52+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50540219 (CHEMBL4642359) Show SMILES Clc1cccc(Cl)c1COc1ccc2c(cc(=O)oc2c1)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C25H14Cl2O5/c26-20-5-3-6-21(27)19(20)13-30-15-8-9-16-17(12-24(28)31-23(16)11-15)18-10-14-4-1-2-7-22(14)32-25(18)29/h1-12H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TDP1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C- BHQ1)-3' as substrate measured for every 1 min by fluorescence based ass...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115234 BindingDB Entry DOI: 10.7270/Q2T72N03
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530462 (CHEMBL4435210) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C |r,TLB:21:22:25.24.29:27,THB:30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27,23:24:27:31.22.30,23:22:25.24.29:27| Show InChI InChI=1S/C31H46N2O/c1-20(2)24-6-8-26-25(15-24)7-9-27-29(3,10-5-11-30(26,27)4)19-32-28(34)33-31-16-21-12-22(17-31)14-23(13-21)18-31/h6,8,15,20-23,27H,5,7,9-14,16-19H2,1-4H3,(H2,32,33,34)/t21?,22?,23?,27-,29-,30+,31?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530462 (CHEMBL4435210) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C |r,TLB:21:22:25.24.29:27,THB:30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27,23:24:27:31.22.30,23:22:25.24.29:27| Show InChI InChI=1S/C31H46N2O/c1-20(2)24-6-8-26-25(15-24)7-9-27-29(3,10-5-11-30(26,27)4)19-32-28(34)33-31-16-21-12-22(17-31)14-23(13-21)18-31/h6,8,15,20-23,27H,5,7,9-14,16-19H2,1-4H3,(H2,32,33,34)/t21?,22?,23?,27-,29-,30+,31?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM11995 (2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...) Show SMILES Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-12(14)11(7-10)13(16)17/h3-7H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Tdp1 (unknown origin)				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530469 (CHEMBL4442276) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(cc4CC[C@@]23[H])C(C)C)c1)C(C)C |r| Show InChI InChI=1S/C49H68N4O2/c1-31(2)34-13-18-39-36(26-34)15-20-42-46(6,22-10-24-48(39,42)8)29-50-44(54)52-38-17-12-33(5)41(28-38)53-45(55)51-30-47(7)23-11-25-49(9)40-19-14-35(32(3)4)27-37(40)16-21-43(47)49/h12-14,17-19,26-28,31-32,42-43H,10-11,15-16,20-25,29-30H2,1-9H3,(H2,50,52,54)(H2,51,53,55)/t42-,43-,46-,47-,48+,49+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530469 (CHEMBL4442276) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(cc4CC[C@@]23[H])C(C)C)c1)C(C)C |r| Show InChI InChI=1S/C49H68N4O2/c1-31(2)34-13-18-39-36(26-34)15-20-42-46(6,22-10-24-48(39,42)8)29-50-44(54)52-38-17-12-33(5)41(28-38)53-45(55)51-30-47(7)23-11-25-49(9)40-19-14-35(32(3)4)27-37(40)16-21-43(47)49/h12-14,17-19,26-28,31-32,42-43H,10-11,15-16,20-25,29-30H2,1-9H3,(H2,50,52,54)(H2,51,53,55)/t42-,43-,46-,47-,48+,49+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50546510 (CHEMBL4797909) Show SMILES CC(CCCC(C)(C)O)Cc1nc(cs1)-c1c2OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c2c(O)c(C)c1O |r,t:19,22| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescenc...				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b01089 BindingDB Entry DOI: 10.7270/Q29S1VNK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463372 (CHEMBL3356739) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(Br)cc1 |r,c:3,t:6| Show InChI InChI=1S/C25H17BrO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-4-6-13(26)7-5-12/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507156 (CHEMBL4475772) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(F)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20FN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507139 (CHEMBL4446104) Show SMILES COc1ccc(\C=N\Nc2nc(cs2)-c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c2O)cc1 |r,t:18,21| Show InChI InChI=1S/C27H23N3O7S/c1-12-22(33)20(16-11-38-26(29-16)30-28-10-14-5-7-15(36-4)8-6-14)24-21(23(12)34)27(3)18(37-24)9-17(32)19(13(2)31)25(27)35/h5-11,32-34H,1-4H3,(H,29,30)/b28-10+/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463379 (CHEMBL4243917) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(C)o1 |r,c:3,t:6| Show InChI InChI=1S/C24H18O8/c1-9-5-6-12(30-9)7-14-20(28)17-21(31-14)10(2)19(27)18-22(17)32-15-8-13(26)16(11(3)25)23(29)24(15,18)4/h5-8,26-27H,1-4H3/b14-7-/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50232848 (CHEMBL4084310) Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)NCCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C(=O)C3(C)c2c(O)c(C)c1O |t:6| Show InChI InChI=1S/C35H43NO7/c1-17-28(39)26(19(3)37)31-27(29(17)40)35(10)24(43-31)16-23(38)25(32(35)42)18(2)36-13-11-12-20-14-21(33(4,5)6)30(41)22(15-20)34(7,8)9/h14-16,36,39-41H,11-13H2,1-10H3/b25-18+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...				J Nat Prod 79: 2961-2967 (2016) BindingDB Entry DOI: 10.7270/Q20C4Z0H
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507153 (CHEMBL4551119) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccccc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H21N3O6S/c1-12-21(32)19(15-11-36-25(28-15)29-27-10-14-7-5-4-6-8-14)23-20(22(12)33)26(3)17(35-23)9-16(31)18(13(2)30)24(26)34/h4-11,31-33H,1-3H3,(H,28,29)/b27-10+/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50232847 (CHEMBL4090202) Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C(=O)C3(C)c2c(O)c(C)c1O |t:6| Show InChI InChI=1S/C34H41NO7/c1-16-27(38)25(18(3)36)30-26(28(16)39)34(10)23(42-30)15-22(37)24(31(34)41)17(2)35-12-11-19-13-20(32(4,5)6)29(40)21(14-19)33(7,8)9/h13-15,35,38-40H,11-12H2,1-10H3/b24-17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...				J Nat Prod 79: 2961-2967 (2016) BindingDB Entry DOI: 10.7270/Q20C4Z0H
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530467 (CHEMBL4467521) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NCCCCCCNC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C(C)C |r| Show InChI InChI=1S/C48H74N4O2/c1-33(2)35-15-19-39-37(29-35)17-21-41-45(5,23-13-25-47(39,41)7)31-51-43(53)49-27-11-9-10-12-28-50-44(54)52-32-46(6)24-14-26-48(8)40-20-16-36(34(3)4)30-38(40)18-22-42(46)48/h15-16,19-20,29-30,33-34,41-42H,9-14,17-18,21-28,31-32H2,1-8H3,(H2,49,51,53)(H2,50,52,54)/t41-,42-,45-,46-,47+,48+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530467 (CHEMBL4467521) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)NCCCCCCNC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C(C)C |r| Show InChI InChI=1S/C48H74N4O2/c1-33(2)35-15-19-39-37(29-35)17-21-41-45(5,23-13-25-47(39,41)7)31-51-43(53)49-27-11-9-10-12-28-50-44(54)52-32-46(6)24-14-26-48(8)40-20-16-36(34(3)4)30-38(40)18-22-42(46)48/h15-16,19-20,29-30,33-34,41-42H,9-14,17-18,21-28,31-32H2,1-8H3,(H2,49,51,53)(H2,50,52,54)/t41-,42-,45-,46-,47+,48+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50507152 (CHEMBL4436400) Show SMILES COc1cc(\C=N\Nc2nc(cs2)-c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c2O)ccc1O |r,t:17,20| Show InChI InChI=1S/C27H23N3O8S/c1-11-22(34)20(14-10-39-26(29-14)30-28-9-13-5-6-15(32)17(7-13)37-4)24-21(23(11)35)27(3)18(38-24)8-16(33)19(12(2)31)25(27)36/h5-10,32-35H,1-4H3,(H,29,30)/b28-9+/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc...				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50067508 (CHEMBL3401896) Show SMILES CCCCN(CCCC)CC(=O)Nc1cc(cc2SSSSSc12)C(F)(F)F Show InChI InChI=1S/C17H23F3N2OS5/c1-3-5-7-22(8-6-4-2)11-15(23)21-13-9-12(17(18,19)20)10-14-16(13)25-27-28-26-24-14/h9-10H,3-8,11H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence				Bioorg Med Chem 23: 2044-52 (2015) Article DOI: 10.1016/j.bmc.2015.03.020 BindingDB Entry DOI: 10.7270/Q2ZW1NMK
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463373 (CHEMBL4250945) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccccc1Br |r,c:3,t:6| Show InChI InChI=1S/C25H17BrO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-6-4-5-7-13(12)26/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463364 (CHEMBL4249351) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cccc(Br)c1 |r,c:3,t:6| Show InChI InChI=1S/C25H17BrO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-5-4-6-13(26)7-12/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50232843 (CHEMBL2207624) Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4ccc(Br)cc4)C(=O)[C@]3(C)c2c(O)c(C)c1O |r,t:6| Show InChI InChI=1S/C24H20BrNO6/c1-10-20(29)18(12(3)27)22-19(21(10)30)24(4)16(32-22)9-15(28)17(23(24)31)11(2)26-14-7-5-13(25)6-8-14/h5-9,26,29-30H,1-4H3/b17-11+/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...				J Nat Prod 79: 2961-2967 (2016) BindingDB Entry DOI: 10.7270/Q20C4Z0H
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50540222 (CHEMBL4643271) Show SMILES O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc4ccccc34)cc2o1 Show InChI InChI=1S/C29H18O5/c30-28-16-24(25-14-19-7-2-4-11-26(19)34-29(25)31)23-13-12-21(15-27(23)33-28)32-17-20-9-5-8-18-6-1-3-10-22(18)20/h1-16H,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TDP1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C- BHQ1)-3' as substrate measured for every 1 min by fluorescence based ass...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115234 BindingDB Entry DOI: 10.7270/Q2T72N03
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50540220 (CHEMBL4643649) Show SMILES Clc1ccccc1COc1ccc2c(cc(=O)oc2c1)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C25H15ClO5/c26-21-7-3-1-6-16(21)14-29-17-9-10-18-19(13-24(27)30-23(18)12-17)20-11-15-5-2-4-8-22(15)31-25(20)28/h1-13H,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TDP1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C- BHQ1)-3' as substrate measured for every 1 min by fluorescence based ass...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115234 BindingDB Entry DOI: 10.7270/Q2T72N03
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530466 (CHEMBL4447343) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)Nc1ccc(Cl)cc1)C(C)C |r| Show InChI InChI=1S/C27H35ClN2O/c1-18(2)19-6-12-23-20(16-19)7-13-24-26(3,14-5-15-27(23,24)4)17-29-25(31)30-22-10-8-21(28)9-11-22/h6,8-12,16,18,24H,5,7,13-15,17H2,1-4H3,(H2,29,30,31)/t24-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50530466 (CHEMBL4447343) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)Nc1ccc(Cl)cc1)C(C)C |r| Show InChI InChI=1S/C27H35ClN2O/c1-18(2)19-6-12-23-20(16-19)7-13-24-26(3,14-5-15-27(23,24)4)17-29-25(31)30-22-10-8-21(28)9-11-22/h6,8-12,16,18,24H,5,7,13-15,17H2,1-4H3,(H2,29,30,31)/t24-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				J Nat Prod 82: 2443-2450 (2019) Article DOI: 10.1021/acs.jnatprod.8b01095 BindingDB Entry DOI: 10.7270/Q23T9MPN
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463386 (CHEMBL4242317) Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1 |r,t:16,19| Show InChI InChI=1S/C26H20O8/c1-11-21(29)20-24(34-17-10-15(28)18(12(2)27)25(31)26(17,20)3)19-22(30)16(33-23(11)19)9-13-5-7-14(32-4)8-6-13/h5-10,28-29H,1-4H3/b16-9-/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...				Bioorg Med Chem 26: 4470-4480 (2018) Article DOI: 10.1016/j.bmc.2018.07.039 BindingDB Entry DOI: 10.7270/Q27W6FVM
					More data for this Ligand-Target Pair

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