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Patent code US10544120

Compile Data Set for Download or QSAR

Found 343 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
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311311
PNG
((R)-1-((2′-chloro-4-(difluoromethyl)-5′...)
Show SMILES CC(C)C[C@@](C)(N)COc1cnc(cc1C(F)F)-c1cc(Cl)ncc1F |r|
Show InChI InChI=1S/C18H21ClF3N3O/c1-10(2)6-18(3,23)9-26-15-8-24-14(4-12(15)17(21)22)11-5-16(19)25-7-13(11)20/h4-5,7-8,10,17H,6,9,23H2,1-3H3/t18-/m1/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311319
PNG
((S)-1-((4-(difluoromethyl)-6-(quinolin-4-yl)pyridi...)
Show SMILES CC(C)C[C@](C)(O)COc1cnc(cc1C(F)F)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C22H24F2N2O2/c1-14(2)11-22(3,27)13-28-20-12-26-19(10-17(20)21(23)24)16-8-9-25-18-7-5-4-6-15(16)18/h4-10,12,14,21,27H,11,13H2,1-3H3/t22-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311324
PNG
((S)-methyl (5-((2-amino-2-(fluoromethyl)-4-methylp...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C(F)F)c(OC[C@](N)(CF)CC(C)C)cn1 |r|
Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)8-20(24,10-21)11-30-16-9-26-15(7-14(16)18(22)23)13-4-5-25-17(6-13)27-19(28)29-3/h4-7,9,12,18H,8,10-11,24H2,1-3H3,(H,25,27,28)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311327
PNG
((S)-1-((2′,4-bis(difluoromethyl)-[2,4′...)
Show SMILES CC(C)C[C@@](N)(CF)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H22F5N3O/c1-11(2)7-19(25,9-20)10-28-16-8-27-14(6-13(16)17(21)22)12-3-4-26-15(5-12)18(23)24/h3-6,8,11,17-18H,7,9-10,25H2,1-2H3/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311339
PNG
((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r|
Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311344
PNG
((S)-1-((3-(difluoromethyl)-5-(5,7-difluoroquinolin...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)cc(F)c12 |r|
Show InChI InChI=1S/C22H23F4N3O/c1-12(2)9-22(3,27)11-30-21-16(20(25)26)6-13(10-29-21)15-4-5-28-18-8-14(23)7-17(24)19(15)18/h4-8,10,12,20H,9,11,27H2,1-3H3/t22-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311156
PNG
((S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-aminopyri...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(N)c1 |r|
Show InChI InChI=1S/C18H22N4O/c1-12(2)7-16(20)11-23-17-4-3-13(8-15(17)10-19)14-5-6-22-18(21)9-14/h3-6,8-9,12,16H,7,11,20H2,1-2H3,(H2,21,22)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311190
PNG
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(t...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1cc(NC(C)=O)ncc1CO |r|
Show InChI InChI=1S/C22H28F3N3O3/c1-13(2)9-21(4,26)12-31-19-6-5-15(7-18(19)22(23,24)25)17-8-20(28-14(3)30)27-10-16(17)11-29/h5-8,10,13,29H,9,11-12,26H2,1-4H3,(H,27,28,30)/t21-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311192
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-(difl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C20H23F2N3O/c1-13(2)10-20(3,24)12-26-18-5-4-14(8-16(18)11-23)15-6-7-25-17(9-15)19(21)22/h4-9,13,19H,10,12,24H2,1-3H3/t20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311251
PNG
((S)-1-((6-fluoro-2′,4-dimethyl-[2,4′-b...)
Show SMILES CC(C)C[C@](C)(N)COc1c(C)cc(nc1F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H26FN3O/c1-12(2)10-19(5,21)11-24-17-13(3)8-16(23-18(17)20)15-6-7-22-14(4)9-15/h6-9,12H,10-11,21H2,1-5H3/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311258
PNG
((S)-2,4-dimethyl-1-(4-(2-methylpyridin-4-yl)-2-(me...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1S(C)(=O)=O)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C20H28N2O3S/c1-14(2)12-20(4,21)13-25-18-7-6-16(11-19(18)26(5,23)24)17-8-9-22-15(3)10-17/h6-11,14H,12-13,21H2,1-5H3/t20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311260
PNG
((S)-1-(2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H25F3N2O/c1-14(2)12-23(3,27)13-29-21-7-4-15(10-19(21)22(25)26)17-8-9-28-20-6-5-16(24)11-18(17)20/h4-11,14,22H,12-13,27H2,1-3H3/t23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311287
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-5′...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1cc(Cl)ncc1F |r|
Show InChI InChI=1S/C18H21ClF3N3O/c1-10(2)6-18(3,23)9-26-15-8-24-14(4-12(15)17(21)22)11-5-16(19)25-7-13(11)20/h4-5,7-8,10,17H,6,9,23H2,1-3H3/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311289
PNG
((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311306
PNG
((S)-1-((2-(difluoromethyl)-6-(6-methylpyridazin-4-...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1cnnc(C)c1 |r|
Show InChI InChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-15-6-5-14(23-16(15)17(19)20)13-7-12(3)24-22-9-13/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311370
PNG
((S)-1-((6-(7-fluoroquinolin-4-yl)-4-methylpyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C22H26FN3O/c1-14(2)11-22(4,24)13-27-21-12-26-19(9-15(21)3)18-7-8-25-20-10-16(23)5-6-17(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311369
PNG
((S)-1-((6-(5,7-difluoroquinolin-4-yl)-4-methylpyri...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc2cc(F)cc(F)c12 |r|
Show InChI InChI=1S/C22H25F2N3O/c1-13(2)10-22(4,25)12-28-20-11-27-18(7-14(20)3)16-5-6-26-19-9-15(23)8-17(24)21(16)19/h5-9,11,13H,10,12,25H2,1-4H3/t22-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427291
PNG
((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc(N)c1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H32F3N3O3/c1-15(2)13-23(6,30-21(31)33-22(3,4)5)14-32-19-8-7-16(11-18(19)24(25,26)27)17-9-10-29-20(28)12-17/h7-12,15H,13-14H2,1-6H3,(H2,28,29)(H,30,31)/t23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427304
PNG
((S)-methyl (4-(5-((2,4 dimethylpentyl)oxy)6-methyp...)
Show SMILES COC(=O)Nc1nccc(n1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
Show InChI InChI=1S/C19H27N5O3/c1-12(2)10-19(4,20)11-27-16-7-6-14(22-13(16)3)15-8-9-21-17(23-15)24-18(25)26-5/h6-9,12H,10-11,20H2,1-5H3,(H,21,23,24,25)/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427306
PNG
((S)-ethyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)-...)
Show SMILES CCOC(=O)Nc1nccc(n1)-c1ccc(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H35F3N4O5/c1-8-36-22(34)32-21-30-12-11-19(31-21)17-9-10-20(18(13-17)26(27,28)29)37-15-25(7,14-16(2)3)33-23(35)38-24(4,5)6/h9-13,16H,8,14-15H2,1-7H3,(H,33,35)(H,30,31,32,34)/t25-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427370
PNG
((S)-2,4-dimethyl-1-((4-methyl-6-(6-methylpyrimidin...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1cc(C)ncn1 |r|
Show InChI InChI=1S/C18H26N4O/c1-12(2)8-18(5,19)10-23-17-9-20-15(6-13(17)3)16-7-14(4)21-11-22-16/h6-7,9,11-12H,8,10,19H2,1-5H3/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427377
PNG
((S)-2-(2-amino-2,4-dimethylpentyloxy)-5-(2-(triflu...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C#N)-c1ccnc(n1)C(F)(F)F)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H29F3N4O3/c1-15(2)12-23(6,31-21(32)34-22(3,4)5)14-33-19-8-7-16(11-17(19)13-28)18-9-10-29-20(30-18)24(25,26)27/h7-11,15H,12,14H2,1-6H3,(H,31,32)/t23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427379
PNG
((S)-1-(2-chloro-4-(2-isopropylpyrimidin-4-yl)pheno...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1Cl)-c1ccnc(n1)C(C)C)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C25H36ClN3O3/c1-16(2)14-25(8,29-23(30)32-24(5,6)7)15-31-21-10-9-18(13-19(21)26)20-11-12-27-22(28-20)17(3)4/h9-13,16-17H,14-15H2,1-8H3,(H,29,30)/t25-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427384
PNG
((S)-1-(2,5-difluoro-4-(2-methylpyrimidin-4-yl)phen...)
Show SMILES CC(C)C[C@@](C)(COc1cc(F)c(Br)cc1F)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C18H26BrF2NO3/c1-11(2)9-18(6,22-16(23)25-17(3,4)5)10-24-15-8-13(20)12(19)7-14(15)21/h7-8,11H,9-10H2,1-6H3,(H,22,23)/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427309
PNG
((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3 (trif...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(O)n1 |r|
Show InChI InChI=1S/C18H22F3N3O2/c1-11(2)9-17(3,22)10-26-15-5-4-12(8-13(15)18(19,20)21)14-6-7-23-16(25)24-14/h4-8,11H,9-10,22H2,1-3H3,(H,23,24,25)/t17-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427310
PNG
((S)-1-((4-(difluoromethyl)-6-(6-methylpyrimidin-4-...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1cc(C)ncn1 |r|
Show InChI InChI=1S/C18H24F2N4O/c1-11(2)7-18(4,21)9-25-16-8-22-15(6-13(16)17(19)20)14-5-12(3)23-10-24-14/h5-6,8,10-11,17H,7,9,21H2,1-4H3/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427321
PNG
((S)-1-(2-fluoro-4-(2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1F)-c1ccnc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H21F4N3O/c1-11(2)9-17(3,23)10-26-15-5-4-12(8-13(15)19)14-6-7-24-16(25-14)18(20,21)22/h4-8,11H,9-10,23H2,1-3H3/t17-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427338
PNG
((S)-methyl (4-(6-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1nccc(n1)-c1cnc(OC[C@@](C)(N)CC(C)C)cc1C |r|
Show InChI InChI=1S/C19H27N5O3/c1-12(2)9-19(4,20)11-27-16-8-13(3)14(10-22-16)15-6-7-21-17(23-15)24-18(25)26-5/h6-8,10,12H,9,11,20H2,1-5H3,(H,21,23,24,25)/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427339
PNG
((S)-methyl (4-(6-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1nccc(n1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r|
Show InChI InChI=1S/C18H24ClN5O3/c1-11(2)8-18(3,20)10-27-15-13(19)7-12(9-22-15)14-5-6-21-16(23-14)24-17(25)26-4/h5-7,9,11H,8,10,20H2,1-4H3,(H,21,23,24,25)/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427340
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-chlor...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C#N)-c1ccnc(Cl)n1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C23H29ClN4O3/c1-15(2)12-23(6,28-21(29)31-22(3,4)5)14-30-19-8-7-16(11-17(19)13-25)18-9-10-26-20(24)27-18/h7-11,15H,12,14H2,1-6H3,(H,28,29)/t23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427346
PNG
((S)-1-(4-(2-methoxypyridin-4-yl)-2-methylphenoxy)-...)
Show SMILES COc1cc(ccn1)-c1ccc(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C25H36N2O4/c1-17(2)15-25(7,27-23(28)31-24(4,5)6)16-30-21-10-9-19(13-18(21)3)20-11-12-26-22(14-20)29-8/h9-14,17H,15-16H2,1-8H3,(H,27,28)/t25-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311194
PNG
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C20H23F5N2O2/c1-12(2)10-19(3,26)11-28-16-5-4-13(9-17(16)29-20(23,24)25)14-6-7-27-15(8-14)18(21)22/h4-9,12,18H,10-11,26H2,1-3H3/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311210
PNG
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r|
Show InChI InChI=1S/C19H25ClN4O3/c1-12(2)10-19(3,21)11-27-15-6-5-14(23-17(15)20)13-7-8-22-16(9-13)24-18(25)26-4/h5-9,12H,10-11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427114
PNG
((S)-2,4-dimethyl-1-((4-methyl-6-(quinolin-4-yl)pyr...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C22H27N3O/c1-15(2)12-22(4,23)14-26-21-13-25-20(11-16(21)3)18-7-5-9-19-17(18)8-6-10-24-19/h5-11,13,15H,12,14,23H2,1-4H3/t22-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311237
PNG
((S)-1-(2-fluoro-4-(2-fluoropyridin-4-yl)phenoxy)-2...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1F)-c1ccnc(F)c1 |r|
Show InChI InChI=1S/C18H22F2N2O/c1-12(2)10-18(3,21)11-23-16-5-4-13(8-15(16)19)14-6-7-22-17(20)9-14/h4-9,12H,10-11,21H2,1-3H3/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311238
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-fluor...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(F)c1 |r|
Show InChI InChI=1S/C19H22FN3O/c1-13(2)10-19(3,22)12-24-17-5-4-14(8-16(17)11-21)15-6-7-23-18(20)9-15/h4-9,13H,10,12,22H2,1-3H3/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311308
PNG
((R)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...)
Show SMILES CC(C)C[C@@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311309
PNG
((R)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@](C)(N)CC(C)C)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311316
PNG
((R)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@](C)(N)CC(C)C)c(C)n1 |r|
Show InChI InChI=1S/C20H28N4O3/c1-13(2)11-20(4,21)12-27-17-7-6-16(23-14(17)3)15-8-9-22-18(10-15)24-19(25)26-5/h6-10,13H,11-12,21H2,1-5H3,(H,22,24,25)/t20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311325
PNG
((R)-methyl (5-((2-amino-2-(fluoromethyl)-4-methylp...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C(F)F)c(OC[C@@](N)(CF)CC(C)C)cn1 |r|
Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)8-20(24,10-21)11-30-16-9-26-15(7-14(16)18(22)23)13-4-5-25-17(6-13)27-19(28)29-3/h4-7,9,12,18H,8,10-11,24H2,1-3H3,(H,25,27,28)/t20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427228
PNG
((S)-1-((5-(7-chloroquinolin-4-yl)-3-(difluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)B1OC(C)(C)C(C)(C)O1 |r|
Show InChI InChI=1S/C19H31BF2N2O3/c1-12(2)9-19(7,23)11-25-16-14(15(21)22)8-13(10-24-16)20-26-17(3,4)18(5,6)27-20/h8,10,12,15H,9,11,23H2,1-7H3/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311350
PNG
((S)-1-((2′-(difluoromethyl)-4-methoxy-[2,4&#...)
Show SMILES COc1cc(ncc1OC[C@@](C)(N)CC(C)C)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H25F2N3O2/c1-12(2)9-19(3,22)11-26-17-10-24-14(8-16(17)25-4)13-5-6-23-15(7-13)18(20)21/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311154
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...)
Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311157
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311158
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C20H24F3N3O3/c1-12(2)8-16(24)11-28-17-5-4-14(9-18(17)29-20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311161
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...)
Show SMILES CC(C)C[C@H](N)COc1c(F)cc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C19H23ClFN3O2/c1-11(2)6-15(22)10-26-19-16(20)7-14(8-17(19)21)13-4-5-23-18(9-13)24-12(3)25/h4-5,7-9,11,15H,6,10,22H2,1-3H3,(H,23,24,25)/t15-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM427059
PNG
(US10544120, Example 15)
Show SMILES CC(C)C[C@@H](COc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C18H25BrN2O3/c1-12(2)8-15(21-17(22)24-18(3,4)5)11-23-16-7-6-14(19)9-13(16)10-20/h6-7,9,12,15H,8,11H2,1-5H3,(H,21,22)/t15-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311169
PNG
((S)-1-(2-(isoxazol-5-yl)-4-(2-methylpyridin-4-yl)p...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1-c1ccno1)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C21H25N3O2/c1-14(2)10-18(22)13-25-20-5-4-16(17-6-8-23-15(3)11-17)12-19(20)21-7-9-24-26-21/h4-9,11-12,14,18H,10,13,22H2,1-3H3/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311178
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H26N4O3/c1-14(2)11-21(3,23)13-28-18-6-5-15(9-17(18)12-22)16-7-8-24-19(10-16)25-20(26)27-4/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311186
PNG
(US10155760, Example 30 | US10351563, Example 30 | ...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OCC(C)(N)CC(C)C)c(C)c1
Show InChI InChI=1S/C21H29N3O3/c1-14(2)12-21(4,22)13-27-18-7-6-16(10-15(18)3)17-8-9-23-19(11-17)24-20(25)26-5/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%