Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'chepanova' and Initial = 'a'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50463365 (CHEMBL4251391) Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)c(OC)c1OC |r,t:16,19| Show InChI InChI=1S/C28H24O10/c1-11-21(31)20-26(38-17-10-14(30)18(12(2)29)27(33)28(17,20)3)19-22(32)16(37-23(11)19)9-13-7-8-15(34-4)25(36-6)24(13)35-5/h7-10,30-31H,1-6H3/b16-9-/t28-/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
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM81347 (L2037 (beta-lapachone)) Show SMILES CN(N=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	360	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 Tdp1 using 5'-biotin-GATCTAAAAGACTT-pY-3' as substrate measured after 20 mins by AlphaScreen assay				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))	BDBM50463374 (CHEMBL3356738) Show SMILES COc1ccccc1\C=C1/Oc2c(C1=O)c1OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c1c(O)c2C |r,t:19,22| Show InChI InChI=1S/C26H20O8/c1-11-21(29)20-24(34-17-10-14(28)18(12(2)27)25(31)26(17,20)3)19-22(30)16(33-23(11)19)9-13-7-5-6-8-15(13)32-4/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	390	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))	BDBM50463370 (CHEMBL3356741) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cccnc1 |r,c:3,t:6| Show InChI InChI=1S/C24H17NO7/c1-10-19(28)18-22(32-15-8-13(27)16(11(2)26)23(30)24(15,18)3)17-20(29)14(31-21(10)17)7-12-5-4-6-25-9-12/h4-9,27-28H,1-3H3/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	450	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))	BDBM50507154 (CHEMBL4533174) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(O)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H21N3O7S/c1-11-21(33)19(15-10-37-25(28-15)29-27-9-13-4-6-14(31)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)30)24(26)35/h4-10,31-34H,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	457	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))	BDBM50463369 (CHEMBL4240521) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(Br)cc(Br)c1 |r,c:3,t:6| Show InChI InChI=1S/C25H16Br2O7/c1-9-20(30)19-23(34-16-8-14(29)17(10(2)28)24(32)25(16,19)3)18-21(31)15(33-22(9)18)6-11-4-12(26)7-13(27)5-11/h4-8,29-30H,1-3H3/b15-6-/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	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))	BDBM50463388 (CHEMBL4240984) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(Br)cs1 |r,c:3,t:6| Show InChI InChI=1S/C23H15BrO7S/c1-8-18(27)17-21(31-14-6-12(26)15(9(2)25)22(29)23(14,17)3)16-19(28)13(30-20(8)16)5-11-4-10(24)7-32-11/h4-7,26-27H,1-3H3/b13-5-/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50507148 (CHEMBL4455616) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(Nc4ccccc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C25H20N2O6S/c1-11-20(30)18(14-10-34-24(27-14)26-13-7-5-4-6-8-13)22-19(21(11)31)25(3)16(33-22)9-15(29)17(12(2)28)23(25)32/h4-10,29-31H,1-3H3,(H,26,27)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	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))	BDBM50463363 (CHEMBL4237246) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1sccc1C |r,c:3,t:6| Show InChI InChI=1S/C24H18O7S/c1-9-5-6-32-14(9)8-13-20(28)17-21(30-13)10(2)19(27)18-22(17)31-15-7-12(26)16(11(3)25)23(29)24(15,18)4/h5-8,26-27H,1-4H3/b13-8-/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	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))	BDBM50463369 (CHEMBL4240521) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(Br)cc(Br)c1 |r,c:3,t:6| Show InChI InChI=1S/C25H16Br2O7/c1-9-20(30)19-23(34-16-8-14(29)17(10(2)28)24(32)25(16,19)3)18-21(31)15(33-22(9)18)6-11-4-12(26)7-13(27)5-11/h4-8,29-30H,1-3H3/b15-6-/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	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'-([32P]-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured after 20 mins by electrophoresis...				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))	BDBM50463360 (CHEMBL4237606) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccccc1 |r,c:3,t:6| Show InChI InChI=1S/C25H18O7/c1-11-20(28)19-23(32-16-10-14(27)17(12(2)26)24(30)25(16,19)3)18-21(29)15(31-22(11)18)9-13-7-5-4-6-8-13/h4-10,27-28H,1-3H3/b15-9-/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	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))	BDBM50463387 (CHEMBL3356740) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccncc1 |r,c:3,t:6| Show InChI InChI=1S/C24H17NO7/c1-10-19(28)18-22(32-15-9-13(27)16(11(2)26)23(30)24(15,18)3)17-20(29)14(31-21(10)17)8-12-4-6-25-7-5-12/h4-9,27-28H,1-3H3/b14-8-/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	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))	BDBM50463362 (CHEMBL4237693) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(C)s1 |r,c:3,t:6| Show InChI InChI=1S/C24H18O7S/c1-9-5-6-12(32-9)7-14-20(28)17-21(30-14)10(2)19(27)18-22(17)31-15-8-13(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	840	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))	BDBM50463377 (CHEMBL4238219) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccccn1 |r,c:3,t:6| Show InChI InChI=1S/C24H17NO7/c1-10-19(28)18-22(32-15-9-13(27)16(11(2)26)23(30)24(15,18)3)17-20(29)14(31-21(10)17)8-12-6-4-5-7-25-12/h4-9,27-28H,1-3H3/b14-8-/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	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))	BDBM50463367 (CHEMBL4247712) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cccs1 |r,c:3,t:6| Show InChI InChI=1S/C23H16O7S/c1-9-18(26)17-21(16-19(27)13(29-20(9)16)7-11-5-4-6-31-11)30-14-8-12(25)15(10(2)24)22(28)23(14,17)3/h4-8,25-26H,1-3H3/b13-7-/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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))	BDBM50463385 (CHEMBL4241774) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(F)cc1 |r,c:3,t:6| Show InChI InChI=1S/C25H17FO7/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	980	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))	BDBM50388602 (FURAMIDINE) Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23| Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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				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))	BDBM50507143 (CHEMBL4570018) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3C(=O)CSC#N)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C19H15NO7S/c1-7-15(24)13(10(23)5-28-6-20)17-14(16(7)25)19(3)11(27-17)4-9(22)12(8(2)21)18(19)26/h4,22,24-25H,5H2,1-3H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	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))	BDBM50463375 (CHEMBL4243326) Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1OC |r,t:16,19| Show InChI InChI=1S/C27H22O9/c1-11-22(30)21-25(36-18-10-14(29)19(12(2)28)26(32)27(18,21)3)20-23(31)17(35-24(11)20)9-13-6-7-15(33-4)16(8-13)34-5/h6-10,29-30H,1-5H3/b17-9-/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	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))	BDBM50507141 (CHEMBL4457603) Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)cc(Br)c1O Show InChI InChI=1S/C17H11BrN2O5S2/c1-25-13-7-9(6-12(18)15(13)21)8-14-16(22)19(17(26)27-14)10-2-4-11(5-3-10)20(23)24/h2-8,21H,1H3/b14-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	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				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))	BDBM50507146 (CHEMBL4452868) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(n3)-c3ccccc3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C25H19NO6S/c1-11-20(29)18(14-10-33-24(26-14)13-7-5-4-6-8-13)22-19(21(11)30)25(3)16(32-22)9-15(28)17(12(2)27)23(25)31/h4-10,28-30H,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	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))	BDBM50507142 (CHEMBL4446028) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(n3)-c3cccnc3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C24H18N2O6S/c1-10-19(29)17(13-9-33-23(26-13)12-5-4-6-25-8-12)21-18(20(10)30)24(3)15(32-21)7-14(28)16(11(2)27)22(24)31/h4-9,28-30H,1-3H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	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))	BDBM50463371 (CHEMBL4238823) Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(Cl)cc1 |r,c:3,t:6| Show InChI InChI=1S/C25H17ClO7/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	1.22E+3	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))	BDBM50388602 (FURAMIDINE) Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23| Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+3	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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