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Patent code US9402842

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425045
PNG
(CHEMBL2312896 | CHEMBL2322964 | US9402842, 43)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NCC(O)=O)cc2c1=O
Show InChI InChI=1S/C21H19N3O4/c22-8-3-9-24-19-14-4-1-2-5-15(14)20(27)18(19)13-7-6-12(23-11-17(25)26)10-16(13)21(24)28/h1-2,4-7,10,23H,3,8-9,11,22H2,(H,25,26)
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US Patent
n/an/a 5.00E+3n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425086
PNG
(CHEMBL2312906 | US9402842, 84)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(I)ccc12
Show InChI InChI=1S/C20H17IN2O3/c1-26-12-4-6-14-15(10-12)19(24)17-13-5-3-11(21)9-16(13)20(25)23(18(14)17)8-2-7-22/h3-6,9-10H,2,7-8,22H2,1H3
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US Patent
n/an/a 5.20E+3n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425087
PNG
(CHEMBL218884 | US9402842, 55)
Show SMILES COc1cccc2C(=O)c3c(-c12)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-15-5-2-4-13-16(15)18-17(19(13)24)12-7-6-11(23(26)27)10-14(12)20(25)22(18)9-3-8-21/h2,4-7,10H,3,8-9,21H2,1H3
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US Patent
n/an/a 5.80E+3n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425085
PNG
(CHEMBL2312908 | US9402842, 89)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(N)ccc12
Show InChI InChI=1S/C20H19N3O3/c1-26-12-4-6-14-15(10-12)19(24)17-13-5-3-11(22)9-16(13)20(25)23(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8,21-22H2,1H3
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US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425084
PNG
(CHEMBL2312893 | US9402842, 40)
Show SMILES CCOC(=O)CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C23H23N3O4/c1-2-30-19(27)13-25-14-8-9-15-18(12-14)23(29)26(11-5-10-24)21-16-6-3-4-7-17(16)22(28)20(15)21/h3-4,6-9,12,25H,2,5,10-11,13,24H2,1H3
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425088
PNG
(CHEMBL375623 | US9402842, 54)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8,21H2,1H3
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50396238
PNG
(CHEMBL2172212 | US9402842, 62)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2
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US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425044
PNG
(CHEMBL2312899 | US9402842, 51)
Show SMILES COc1ccc2C(=O)c3c(-c2c1)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-12-4-6-14-15(10-12)18-17(19(14)24)13-5-3-11(23(26)27)9-16(13)20(25)22(18)8-2-7-21/h3-6,9-10H,2,7-8,21H2,1H3
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US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50396234
PNG
(CHEMBL2172214 | US9402842, 57)
Show SMILES CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-12(25)23-13-7-8-14-17(11-13)21(27)24(10-4-9-22)19-15-5-2-3-6-16(15)20(26)18(14)19/h2-3,5-8,11H,4,9-10,22H2,1H3,(H,23,25)
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US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425046
PNG
(CHEMBL2312571 | US9402842, 23)
Show SMILES COC(=O)CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C23H21N3O5/c1-31-19(28)12-18(27)25-13-7-8-14-17(11-13)23(30)26(10-4-9-24)21-15-5-2-3-6-16(15)22(29)20(14)21/h2-3,5-8,11H,4,9-10,12,24H2,1H3,(H,25,27)
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US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425047
PNG
(CHEMBL2312570 | US9402842, 22)
Show SMILES COC(=O)C(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C22H19N3O5/c1-30-22(29)20(27)24-12-7-8-13-16(11-12)21(28)25(10-4-9-23)18-14-5-2-3-6-15(14)19(26)17(13)18/h2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,27)
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US Patent
n/an/a 4.50E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM60991
PNG
(BDBM50425048 | US9402842, 14)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C19H12N2O5/c1-21-15-11-4-2-3-5-12(11)16(22)14(15)10-7-6-9(8-13(10)18(21)24)20-17(23)19(25)26/h2-8H,1H3,(H,20,23)(H,25,26)
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US Patent
n/an/a 6.10E+4n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%