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Compile Data Set for Download or QSAR

Found 85 hits of ec50 data for polymerid = 5999   
Target
(Institution)
LigandTarget
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
pHTemp
°C
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438854
PNG
(CHEMBL2420474)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H13N5O4S/c1-29(27,28)23-13-3-2-4-14(9-13)24-16-7-11(10-20)5-6-12(16)8-15-17(24)21-19(26)22-18(15)25/h2-9,23H,1H3,(H,22,25,26)
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n/an/an/an/a 30n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438848
PNG
(CHEMBL2420480)
Show SMILES O=c1nc2n(-c3cccc(c3)-c3nnn[nH]3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26)
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n/an/an/an/a 40n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438864
PNG
(CHEMBL2420507)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-4-5-11-7-14-16(20-18(25)21-17(14)24)22(15(11)6-10)12-2-1-3-13(23)8-12/h1-8,23H,(H,21,24,25)
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n/an/an/an/a 50n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438894
PNG
(CHEMBL2420481)
Show SMILES COc1ccc(cc1OC)-c1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C19H17N5O4S/c1-23-18(25)15-17(21-19(23)26)24(2)22-16(20-15)14-8-11(9-29-14)10-5-6-12(27-3)13(7-10)28-4/h5-9H,1-4H3
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n/an/an/an/a 50n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/an/an/a 90n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438856
PNG
(CHEMBL2420472)
Show SMILES Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H11N5O2/c19-9-10-4-5-11-7-14-16(21-18(25)22-17(14)24)23(15(11)6-10)13-3-1-2-12(20)8-13/h1-8H,20H2,(H,22,24,25)
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n/an/an/an/a 90n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438914
PNG
(CHEMBL2420614)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O2S/c1-21-16(23)13-15(19-17(21)24)22(2)20-14(18-13)12-8-11(9-25-12)10-6-4-3-5-7-10/h3-9H,1-2H3
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n/an/an/an/a 120n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438919
PNG
(CHEMBL2420610)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N5O2/c1-21-16(23)13-15(19-17(21)24)22(2)20-14(18-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
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n/an/an/an/a 150n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438915
PNG
(CHEMBL2420613)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1
Show InChI InChI=1S/C11H8BrN5O2S/c1-16-10(18)7-9(14-11(16)19)17(2)15-8(13-7)6-3-5(12)4-20-6/h3-4H,1-2H3
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n/an/an/an/a 200n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438916
PNG
(CHEMBL2420612)
Show SMILES Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C12H11N5O2S/c1-6-4-7(20-5-6)9-13-8-10(17(3)15-9)14-12(19)16(2)11(8)18/h4-5H,1-3H3
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n/an/an/an/a 250n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438862
PNG
(CHEMBL2420466)
Show SMILES OCc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H12N4O3/c20-9-11-4-5-13-8-15-17(21-19(26)22-18(15)25)23(16(13)7-11)14-3-1-2-12(6-14)10-24/h1-8,24H,10H2,(H,22,25,26)
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n/an/an/an/a 250n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438911
PNG
(CHEMBL2420616)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H10F3N5O3/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)25-14(15,16)17/h3-6H,1-2H3
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n/an/an/an/a 260n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438913
PNG
(CHEMBL2420615)
Show SMILES CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C15H15N5O2/c1-4-9-5-7-10(8-6-9)12-16-11-13(20(3)18-12)17-15(22)19(2)14(11)21/h5-8H,4H2,1-3H3
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n/an/an/an/a 280n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438905
PNG
(CHEMBL2417582)
Show SMILES CCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(CC)cc1
Show InChI InChI=1S/C17H19N5O2/c1-4-10-22-15-13(16(23)21(3)17(24)19-15)18-14(20-22)12-8-6-11(5-2)7-9-12/h6-9H,4-5,10H2,1-3H3
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n/an/an/an/a 280n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438851
PNG
(CHEMBL2420477)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H11N5O4S/c19-9-10-4-5-11-7-14-16(21-18(25)22-17(14)24)23(15(11)6-10)12-2-1-3-13(8-12)28(20,26)27/h1-8H,(H2,20,26,27)(H,22,24,25)
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n/an/an/an/a 290n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438910
PNG
(CHEMBL1450796 | US9073941, 618)
Show SMILES Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
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n/an/an/an/a 290n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438907
PNG
(CHEMBL1569025)
Show SMILES CCc1ccc(cc1)-c1nn(CC)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C16H17N5O2/c1-4-10-6-8-11(9-7-10)13-17-12-14(21(5-2)19-13)18-16(23)20(3)15(12)22/h6-9H,4-5H2,1-3H3
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n/an/an/an/a 300n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438859
PNG
(CHEMBL2420469)
Show SMILES COc1ccc(cc1O)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H12N4O4/c1-27-16-5-4-12(8-15(16)24)23-14-6-10(9-20)2-3-11(14)7-13-17(23)21-19(26)22-18(13)25/h2-8,24H,1H3,(H,22,25,26)
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n/an/an/an/a 320n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438912
PNG
(CHEMBL1096283 | US9073941, 619)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
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n/an/an/an/a 330n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438904
PNG
(CHEMBL2420509)
Show SMILES CCc1ccc(cc1)-c1nn(CC2CC2)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C18H19N5O2/c1-3-11-6-8-13(9-7-11)15-19-14-16(20-18(25)22(2)17(14)24)23(21-15)10-12-4-5-12/h6-9,12H,3-5,10H2,1-2H3
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n/an/an/an/a 360n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438849
PNG
(CHEMBL2420479)
Show SMILES O=c1nc2n(-c3cccc4[nH]ncc34)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N6O2/c20-8-10-4-5-11-7-12-17(22-19(27)23-18(12)26)25(16(11)6-10)15-3-1-2-14-13(15)9-21-24-14/h1-7,9H,(H,21,24)(H,23,26,27)
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n/an/an/an/a 370n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438898
PNG
(CHEMBL2420515)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CC1
Show InChI InChI=1S/C10H11N5O2/c1-14-9(16)6-8(12-10(14)17)15(2)13-7(11-6)5-3-4-5/h5H,3-4H2,1-2H3
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n/an/an/an/a 370n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438909
PNG
(CHEMBL2420617)
Show SMILES Cc1cccc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-8-5-4-6-9(7-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
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n/an/an/an/a 400n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438895
PNG
(CHEMBL2420518)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCOCC1
Show InChI InChI=1S/C12H15N5O3/c1-16-11(18)8-10(14-12(16)19)17(2)15-9(13-8)7-3-5-20-6-4-7/h7H,3-6H2,1-2H3
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n/an/an/an/a 430n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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n/an/an/an/a 430n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438861
PNG
(CHEMBL2420467)
Show SMILES COc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H12N4O3/c1-26-14-4-2-3-13(9-14)23-16-7-11(10-20)5-6-12(16)8-15-17(23)21-19(25)22-18(15)24/h2-9H,1H3,(H,22,24,25)
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n/an/an/an/a 470n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438868
PNG
(CHEMBL2420503)
Show SMILES Oc1cccc(c1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-5-4-9-6-13-15(19-17(24)20-16(13)23)21(14(9)7-10)11-2-1-3-12(22)8-11/h1-8,22H,(H,20,23,24)
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n/an/an/an/a 480n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/an/an/a 500n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/an/an/a 510n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438897
PNG
(CHEMBL2420516)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCCC1
Show InChI InChI=1S/C12H15N5O2/c1-16-11(18)8-10(14-12(16)19)17(2)15-9(13-8)7-5-3-4-6-7/h7H,3-6H2,1-2H3
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n/an/an/an/a 640n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438850
PNG
(CHEMBL2420478)
Show SMILES O=c1nc2n(-c3ccc4cn[nH]c4c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N6O2/c20-8-10-1-2-11-6-14-17(22-19(27)23-18(14)26)25(16(11)5-10)13-4-3-12-9-21-24-15(12)7-13/h1-7,9H,(H,21,24)(H,23,26,27)
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n/an/an/an/a 640n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438901
PNG
(CHEMBL2420512)
Show SMILES CCc1ccc(cc1)-c1nn(C)c2nc(=O)[nH]c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-3-8-4-6-9(7-5-8)11-15-10-12(19(2)18-11)16-14(21)17-13(10)20/h4-7H,3H2,1-2H3,(H,17,20,21)
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n/an/an/an/a 670n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438920
PNG
(CHEMBL2420609)
Show SMILES Cn1nc(CCc2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C15H15N5O2/c1-19-14(21)12-13(17-15(19)22)20(2)18-11(16-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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n/an/an/an/a 680n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438899
PNG
(CHEMBL2420514)
Show SMILES CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(Cc3ccccc3)c(=O)c2n1
Show InChI InChI=1S/C21H19N5O2/c1-3-14-9-11-16(12-10-14)18-22-17-19(25(2)24-18)23-21(28)26(20(17)27)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
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n/an/an/an/a 700n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438855
PNG
(CHEMBL2420473)
Show SMILES NC(=O)Cc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C20H13N5O3/c21-10-12-4-5-13-9-15-18(23-20(28)24-19(15)27)25(16(13)7-12)14-3-1-2-11(6-14)8-17(22)26/h1-7,9H,8H2,(H2,22,26)(H,24,27,28)
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n/an/an/an/a 720n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438896
PNG
(CHEMBL2420517)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCCCC1
Show InChI InChI=1S/C13H17N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
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n/an/an/an/a 750n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438917
PNG
(CHEMBL2420611)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cscn1
Show InChI InChI=1S/C10H8N6O2S/c1-15-9(17)6-8(13-10(15)18)16(2)14-7(12-6)5-3-19-4-11-5/h3-4H,1-2H3
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n/an/an/an/a 770n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM36527
PNG
(1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3
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n/an/an/an/a 780n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438918
PNG
(CHEMBL2094689 | DNDI1417416 | US9073941, 606)
Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3
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n/an/an/an/a 870n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438921
PNG
(CHEMBL1394266)
Show SMILES Cn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C14H13N5O2/c1-18-13(20)11-12(16-14(18)21)19(2)17-10(15-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
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n/an/an/an/a 960n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438900
PNG
(CHEMBL2420513)
Show SMILES CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(-c3ccccc3)c(=O)c2n1
Show InChI InChI=1S/C20H17N5O2/c1-3-13-9-11-14(12-10-13)17-21-16-18(24(2)23-17)22-20(27)25(19(16)26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438860
PNG
(CHEMBL2420468)
Show SMILES COc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H12N4O3/c1-26-14-6-4-13(5-7-14)23-16-8-11(10-20)2-3-12(16)9-15-17(23)21-19(25)22-18(15)24/h2-9H,1H3,(H,22,24,25)
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n/an/an/an/a 1.04E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438908
PNG
(CHEMBL1449180)
Show SMILES Cc1ccccc1-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-8-6-4-5-7-9(8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
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n/an/an/an/a 1.07E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/an/an/a 1.16E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438852
PNG
(CHEMBL2420476)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2ccc(Cl)cc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C18H13ClN4O4S/c1-28(26,27)22-12-3-2-4-13(9-12)23-15-6-5-11(19)7-10(15)8-14-16(23)20-18(25)21-17(14)24/h2-9,22H,1H3,(H,21,24,25)
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n/an/an/an/a 1.37E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438870
PNG
(8-Chloro-10-(4-hydroxyphenyl)pyrimido[4,5-b]quinol...)
Show SMILES Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-2-1-9-7-13-15(19-17(24)20-16(13)23)21(14(9)8-10)11-3-5-12(22)6-4-11/h1-8,22H,(H,20,23,24)
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n/an/an/an/a 1.66E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438890
PNG
(CHEMBL2420485)
Show SMILES Cc1csc(c1)-c1nn(C)c2nc(N)nc(=O)c2n1
Show InChI InChI=1S/C11H10N6OS/c1-5-3-6(19-4-5)8-13-7-9(17(2)16-8)14-11(12)15-10(7)18/h3-4H,1-2H3,(H2,12,15,18)
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n/an/an/an/a 2.10E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438857
PNG
(CHEMBL2420471)
Show SMILES Brc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H9BrN4O2/c19-12-3-5-13(6-4-12)23-15-7-10(9-20)1-2-11(15)8-14-16(23)21-18(25)22-17(14)24/h1-8H,(H,22,24,25)
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n/an/an/an/a 2.74E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438866
PNG
(CHEMBL2420505)
Show SMILES FC(F)(F)c1ccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C18H10F3N3O2/c19-18(20,21)11-7-6-10-8-13-15(22-17(26)23-16(13)25)24(14(10)9-11)12-4-2-1-3-5-12/h1-9H,(H,23,25,26)
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n/an/an/an/a 2.87E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438858
PNG
(CHEMBL2420470)
Show SMILES Fc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H9FN4O2/c19-12-2-1-3-13(8-12)23-15-6-10(9-20)4-5-11(15)7-14-16(23)21-18(25)22-17(14)24/h1-8H,(H,22,24,25)
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antibodypedia
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UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a 3.39E+3n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
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