Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50007183   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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	1.24E+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))	BDBM50507149 (CHEMBL4564100) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(NCC=C)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C22H20N2O6S/c1-5-6-23-21-24-11(8-31-21)15-17(27)9(2)18(28)16-19(15)30-13-7-12(26)14(10(3)25)20(29)22(13,16)4/h5,7-8,26-28H,1,6H2,2-4H3,(H,23,24)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+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))	BDBM50507144 (CHEMBL4451622) Show SMILES CC(CCNC1C2CC3CC(C2)CC1C3)CCC=C(C)C |TLB:11:10:14:7.6.5,11:6:9.10.12:14,THB:5:6:9:12.13.14,5:13:9:7.11.6,4:5:9.10.12:14,(13.7,-18.97,;12.37,-19.76,;11.03,-19,;9.7,-19.79,;8.36,-19.03,;7.04,-19.82,;7.02,-21.35,;5.61,-21.7,;4.29,-21.22,;3.09,-22.49,;4.59,-22.08,;6.01,-22.64,;4.59,-20.48,;5.63,-19.25,;4.28,-19.72,;12.39,-21.3,;11.06,-22.08,;11.08,-23.62,;9.76,-24.41,;9.77,-25.95,;8.41,-23.65,)| Show InChI InChI=1S/C20H35N/c1-14(2)5-4-6-15(3)7-8-21-20-18-10-16-9-17(12-18)13-19(20)11-16/h5,15-21H,4,6-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+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))	BDBM50507157 (CHEMBL4590510) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C19H16N2O6S/c1-6-14(24)12(8-5-28-18(20)21-8)16-13(15(6)25)19(3)10(27-16)4-9(23)11(7(2)22)17(19)26/h4-5,23-25H,1-3H3,(H2,20,21)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+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))	BDBM50507145 (CHEMBL4566004) Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(C)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C20H17NO6S/c1-7-16(24)14(10-6-28-9(3)21-10)18-15(17(7)25)20(4)12(27-18)5-11(23)13(8(2)22)19(20)26/h5-6,23-25H,1-4H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+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))	BDBM50507147 (CHEMBL4464001) Show SMILES CNc1nc(cs1)-c1c2OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c2c(O)c(C)c1O |r,t:11,14| Show InChI InChI=1S/C20H18N2O6S/c1-7-15(25)13(9-6-29-19(21-4)22-9)17-14(16(7)26)20(3)11(28-17)5-10(24)12(8(2)23)18(20)27/h5-6,24-26H,1-4H3,(H,21,22)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+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))	BDBM50056923 ((+)-usnic acid | (9bR)-2,6-diacetyl-3,7,9-trihydro...) Show SMILES CC(=O)C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O |r,t:6| Show InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50269845 (CHEMBL4077630) Show SMILES Oc1ccc(cc1)[C@H]1[C@@H]([C@@H]([C@H]1c1cc(O)cc(=O)o1)c1ccc(O)cc1)c1cc(O)cc(=O)o1 |r| Show InChI InChI=1S/C26H20O8/c27-15-5-1-13(2-6-15)23-25(19-9-17(29)11-21(31)33-19)24(14-3-7-16(28)8-4-14)26(23)20-10-18(30)12-22(32)34-20/h1-12,23-30H/t23-,24-,25-,26-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+6	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))	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	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	7.02E+3	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	3.52E+4	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	4.46E+4	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	3.11E+4	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	9.46E+3	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	7.14E+3	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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))	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	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching 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