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Patent code US10800784

Compile Data Set for Download or QSAR

Found 246 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467025
PNG
(US10800784, Example 15)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)-c1ccccc1
Show InChI InChI=1S/C21H22F3N5O2/c1-13-11-28(12-15-10-25-19(29(13)15)20(2,31)21(22,23)24)18(30)17-9-16(26-27(17)3)14-7-5-4-6-8-14/h4-10,13,31H,11-12H2,1-3H3/t13-,20+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467059
PNG
(US10800784, Example 49)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C22H21F3N4O2/c1-14-12-28(13-17-11-27-20(29(14)17)21(2,31)22(23,24)25)19(30)16-7-5-6-15(10-16)18-8-3-4-9-26-18/h3-11,14,31H,12-13H2,1-2H3/t14-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467100
PNG
(US10800784, Example 87)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-9-29-20(31(12)15)21(2,33)22(25,26)27)19(32)16-7-8-28-18(17(16)24)13-3-5-14(23)6-4-13/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467100
PNG
(US10800784, Example 87)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-9-29-20(31(12)15)21(2,33)22(25,26)27)19(32)16-7-8-28-18(17(16)24)13-3-5-14(23)6-4-13/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467117
PNG
(US10800784, Example 103)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1n[nH]c2CC(C)(C)CCc12
PDB

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n/an/a<3n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467014
PNG
(US10800784, Example 5)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1nn(C)c2cc(ccc12)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-9-28(10-13-8-25-18(29(11)13)19(2,31)20(21,22)23)17(30)16-14-5-4-12(7-24)6-15(14)27(3)26-16/h4-6,8,11,31H,9-10H2,1-3H3/t11-,19+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467024
PNG
(US10800784, Example 14)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)C1CC1
Show InChI InChI=1S/C18H22F3N5O2/c1-10-8-25(15(27)14-6-13(11-4-5-11)23-24(14)3)9-12-7-22-16(26(10)12)17(2,28)18(19,20)21/h6-7,10-11,28H,4-5,8-9H2,1-3H3/t10-,17+/m0/s1
PDB

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n/an/a<3n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467065
PNG
(US10800784, Example 54)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-17-10-30-21(32(13)17)22(2,34)23(25,26)27)20(33)14-5-6-29-19(8-14)18-4-3-16(24)7-15(18)9-28/h3-8,10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
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n/an/a<3n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467057
PNG
(US10800784, Example 47)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H20F5N5O2/c1-11-9-30(10-13-8-27-19(31(11)13)20(2,33)21(24,25)26)18(32)17-7-16(28-29(17)3)14-5-4-12(22)6-15(14)23/h4-8,11,33H,9-10H2,1-3H3/t11-,20+/m0/s1
PDB

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n/an/a<3n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467069
PNG
(US10800784, Example 58)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(F)c(c1)-c1ccc(cn1)C#N
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-4-5-18(24)17(7-15)19-6-3-14(8-28)9-29-19/h3-7,9-10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467093
PNG
(US10800784, Example 80)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cncc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-18-10-28-20(30(13)18)21(2,32)22(24,25)26)19(31)16-7-15(8-27-9-16)14-3-5-17(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467029
PNG
(US10800784, Example 19)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1c(C#N)c(nn1C)C1CC1
Show InChI InChI=1S/C19H21F3N6O2/c1-10-8-27(9-12-7-24-17(28(10)12)18(2,30)19(20,21)22)16(29)15-13(6-23)14(11-4-5-11)25-26(15)3/h7,10-11,30H,4-5,8-9H2,1-3H3/t10-,18+/m0/s1
PDB

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n/an/a<3n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467071
PNG
(US10800784, Example 59)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cnc(cc1C)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C24H21F4N5O2/c1-13-6-20(18-5-4-16(25)7-15(18)8-29)30-10-19(13)21(34)32-11-14(2)33-17(12-32)9-31-22(33)23(3,35)24(26,27)28/h4-7,9-10,14,35H,11-12H2,1-3H3/t14-,23+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467117
PNG
(US10800784, Example 103)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1n[nH]c2CC(C)(C)CCc12
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467059
PNG
(US10800784, Example 49)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C22H21F3N4O2/c1-14-12-28(13-17-11-27-20(29(14)17)21(2,31)22(23,24)25)19(30)16-7-5-6-15(10-16)18-8-3-4-9-26-18/h3-11,14,31H,12-13H2,1-2H3/t14-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467066
PNG
(US10800784, Example 55)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(ccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-17-10-28-20(30(13)17)21(2,32)22(24,25)26)19(31)18-9-15(7-8-27-18)14-3-5-16(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467074
PNG
(US10800784, Example 62)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-5-6-29-19(8-15)17-4-3-14(9-28)7-18(17)24/h3-8,10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467126
PNG
(US10800784, Example 112)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Cl
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467024
PNG
(US10800784, Example 14)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)C1CC1
Show InChI InChI=1S/C18H22F3N5O2/c1-10-8-25(15(27)14-6-13(11-4-5-11)23-24(14)3)9-12-7-22-16(26(10)12)17(2,28)18(19,20)21/h6-7,10-11,28H,4-5,8-9H2,1-3H3/t10-,17+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467048
PNG
(US10800784, Example 38)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cccc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-16-10-27-20(30(13)16)21(2,32)22(24,25)26)19(31)18-5-3-4-17(28-18)14-6-8-15(23)9-7-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
PDB

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n/an/a<3n/an/an/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467101
PNG
(US10800784, Example 88)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-9-29-20(31(12)15)21(2,33)22(25,26)27)19(32)13-5-6-28-18(7-13)16-4-3-14(23)8-17(16)24/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467120
PNG
(US10800784, Example 106)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)[C@H]1N(C)CCc2ccccc12
Show InChI InChI=1S/C21H24F3N3O3/c1-12-10-27(11-15-16(12)18(25-30-15)20(2,29)21(22,23)24)19(28)17-14-7-5-4-6-13(14)8-9-26(17)3/h4-7,12,17,29H,8-11H2,1-3H3/t12-,17-,20+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467123
PNG
(US10800784, Example 109)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnn1C1CC1
Show InChI InChI=1S/C17H19F3N4O3/c1-9-7-23(15(25)11-5-6-21-24(11)10-3-4-10)8-12-13(9)14(22-27-12)16(2,26)17(18,19)20/h5-6,9-10,26H,3-4,7-8H2,1-2H3/t9-,16+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467045
PNG
(US10800784, Example 35)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C1CC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23F3N6O2/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)20-9-19(30-33(20)17-7-8-17)16-5-3-15(10-28)4-6-16/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3/t14-,23+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467047
PNG
(US10800784, Example 37)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(C2CC2)n(CC(F)(F)F)n1
Show InChI InChI=1S/C19H21F6N5O2/c1-10-7-28(8-12-6-26-16(30(10)12)17(2,32)19(23,24)25)15(31)13-5-14(11-3-4-11)29(27-13)9-18(20,21)22/h5-6,10-11,32H,3-4,7-9H2,1-2H3/t10-,17+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467058
PNG
(US10800784, Example 48)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-17-10-28-20(30(13)17)21(2,32)22(24,25)26)19(31)15-7-8-27-18(9-15)14-3-5-16(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467098
PNG
(US10800784, Example 85)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(C#N)c(c1)-n1cc(Cl)cn1
Show InChI InChI=1S/C21H18ClF3N6O2/c1-12-9-29(11-16-8-27-19(31(12)16)20(2,33)21(23,24)25)18(32)13-3-4-14(6-26)17(5-13)30-10-15(22)7-28-30/h3-5,7-8,10,12,33H,9,11H2,1-2H3/t12-,20+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467099
PNG
(US10800784, Example 86)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(ncc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-8-29-20(31(12)15)21(2,33)22(25,26)27)19(32)16-7-18(28-9-17(16)24)13-3-5-14(23)6-4-13/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467125
PNG
(US10800784, Example 111)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(n[nH]1)C1CC1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467053
PNG
(US10800784, Example 43)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cccc(n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H20F3N5O2/c1-14-12-30(13-17-11-28-21(31(14)17)22(2,33)23(24,25)26)20(32)19-5-3-4-18(29-19)16-8-6-15(10-27)7-9-16/h3-9,11,14,33H,12-13H2,1-2H3/t14-,22+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467058
PNG
(US10800784, Example 48)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-17-10-28-20(30(13)17)21(2,32)22(24,25)26)19(31)15-7-8-27-18(9-15)14-3-5-16(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467073
PNG
(US10800784, Example 61)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C22H20F4N6O2/c1-12-10-31(11-15-9-28-20(32(12)15)21(2,34)22(24,25)26)19(33)18-7-17(29-30(18)3)16-5-4-14(23)6-13(16)8-27/h4-7,9,12,34H,10-11H2,1-3H3/t12-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467083
PNG
(US10800784, Example 70)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(F)c(c1)-c1ccc(F)cn1
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-9-29-20(31(12)15)21(2,33)22(25,26)27)19(32)13-3-5-17(24)16(7-13)18-6-4-14(23)8-28-18/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467115
PNG
(US10800784, Example 101)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1n[nH]c2ccccc12
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467099
PNG
(US10800784, Example 86)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(ncc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-8-29-20(31(12)15)21(2,33)22(25,26)27)19(32)16-7-18(28-9-17(16)24)13-3-5-14(23)6-4-13/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467127
PNG
(US10800784, Example 113)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(C2CC2)n(C)n1
Show InChI InChI=1S/C18H21F3N4O3/c1-9-7-25(16(26)11-6-12(10-4-5-10)24(3)22-11)8-13-14(9)15(23-28-13)17(2,27)18(19,20)21/h6,9-10,27H,4-5,7-8H2,1-3H3/t9-,17+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467132
PNG
(US10800784, Example 118)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)C1(C)CC1
Show InChI InChI=1S/C19H23F3N4O3/c1-10-8-26(16(27)11-7-13(23-25(11)4)17(2)5-6-17)9-12-14(10)15(24-29-12)18(3,28)19(20,21)22/h7,10,28H,5-6,8-9H2,1-4H3/t10-,18+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467048
PNG
(US10800784, Example 38)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cccc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-16-10-27-20(30(13)16)21(2,32)22(24,25)26)19(31)18-5-3-4-17(28-18)14-6-8-15(23)9-7-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467066
PNG
(US10800784, Example 55)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(ccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F4N4O2/c1-13-11-29(12-17-10-28-20(30(13)17)21(2,32)22(24,25)26)19(31)18-9-15(7-8-27-18)14-3-5-16(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467071
PNG
(US10800784, Example 59)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cnc(cc1C)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C24H21F4N5O2/c1-13-6-20(18-5-4-16(25)7-15(18)8-29)30-10-19(13)21(34)32-11-14(2)33-17(12-32)9-31-22(33)23(3,35)24(26,27)28/h4-7,9-10,14,35H,11-12H2,1-3H3/t14-,23+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467074
PNG
(US10800784, Example 62)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-5-6-29-19(8-15)17-4-3-14(9-28)7-18(17)24/h3-8,10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467081
PNG
(US10800784, Example 68)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(ncc1F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-9-30-21(32(13)16)22(2,34)23(25,26)27)20(33)17-7-19(29-10-18(17)24)15-5-3-14(8-28)4-6-15/h3-7,9-10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467091
PNG
(US10800784, Example 78)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(-c2ccc(cc2)C#N)c1F
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)17-7-8-29-19(18(17)24)15-5-3-14(9-28)4-6-15/h3-8,10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467062
PNG
(US10800784, Example 51)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C21H24F3N3O3/c1-13-11-26(12-16-10-25-18(27(13)16)19(2,29)21(22,23)24)17(28)14-4-6-15(7-5-14)20(30)8-3-9-20/h4-7,10,13,29-30H,3,8-9,11-12H2,1-2H3/t13-,19+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467069
PNG
(US10800784, Example 58)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(F)c(c1)-c1ccc(cn1)C#N
Show InChI InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-4-5-18(24)17(7-15)19-6-3-14(8-28)9-29-19/h3-7,9-10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467079
PNG
(US10800784, Example 66)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C)-c1ccc(Cl)cn1
Show InChI InChI=1S/C20H20ClF3N6O2/c1-11-9-29(10-13-8-26-18(30(11)13)19(2,32)20(22,23)24)17(31)16-6-15(27-28(16)3)14-5-4-12(21)7-25-14/h4-8,11,32H,9-10H2,1-3H3/t11-,19+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467116
PNG
(US10800784, Example 102)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1cccc2[nH]ncc12
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM467133
PNG
(US10800784, Example 119)
Show SMILES C[C@H]1CN(Cc2onc(c12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(n(C)n1)C1(C)CC1
Show InChI InChI=1S/C19H23F3N4O3/c1-10-8-26(16(27)11-7-13(25(4)23-11)17(2)5-6-17)9-12-14(10)15(24-29-12)18(3,28)19(20,21)22/h7,10,28H,5-6,8-9H2,1-4H3/t10-,18+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467045
PNG
(US10800784, Example 35)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1cc(nn1C1CC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23F3N6O2/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)20-9-19(30-33(20)17-7-8-17)16-5-3-15(10-28)4-6-16/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3/t14-,23+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM467101
PNG
(US10800784, Example 88)
Show SMILES C[C@H]1CN(Cc2cnc(n12)[C@@](C)(O)C(F)(F)F)C(=O)c1ccnc(c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C22H19F5N4O2/c1-12-10-30(11-15-9-29-20(31(12)15)21(2,33)22(25,26)27)19(32)13-5-6-28-18(7-13)16-4-3-14(23)8-17(16)24/h3-9,12,33H,10-11H2,1-2H3/t12-,21+/m0/s1
PDB

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JAPAN TOBACCO INC.

US Patent


Assay Description
In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added t...


US Patent US10800784 (2020)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 246 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%