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Patent code US10155760

Compile Data Set for Download or QSAR

Found 237 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)
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311290
PNG
((S)-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
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-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311347
PNG
((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311338
PNG
((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12
Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311155
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311265
PNG
((S)-1-((4-(difluoromethyl)-6-(quinolin-4-yl)pyridi...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-20-12-27-19(10-17(20)21(23)24)16-8-9-26-18-7-5-4-6-15(16)18/h4-10,12,14,21H,11,13,25H2,1-3H3/t22-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311340
PNG
((S)-1-((5-(7-chloroquinolin-4-yl)-3-(difluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C22H24ClF2N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311189
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)C1CC1
Show InChI InChI=1S/C23H31N3O3/c1-15(2)13-23(3,24)14-29-20-8-7-17(11-19(20)16-5-6-16)18-9-10-25-21(12-18)26-22(27)28-4/h7-12,15-16H,5-6,13-14,24H2,1-4H3,(H,25,26,27)/t23-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311229
PNG
((S)-1-(4-(1,6-naphthyridin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2ccncc12
Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-5-4-15(10-18(20)22(23,24)25)16-6-9-28-19-7-8-27-12-17(16)19/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311176
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(F)(F)F
Show InChI InChI=1S/C21H26F3N3O3/c1-13(2)11-20(3,25)12-30-17-6-5-14(9-16(17)21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311292
PNG
((S)-1-((4-(difluoromethyl)-5′-fluoro-2′...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1cc(C)ncc1F
Show InChI InChI=1S/C19H24F3N3O/c1-11(2)7-19(4,23)10-26-17-9-25-16(6-14(17)18(21)22)13-5-12(3)24-8-15(13)20/h5-6,8-9,11,18H,7,10,23H2,1-4H3/t19-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311378
PNG
((S)-1-((4-chloro-6-(6-fluoroquinolin-4-yl)pyridin-...)
Show SMILES CC(C)C[C@@](C)(COc1cnc(cc1Cl)-c1ccnc2ccc(F)cc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31ClFN3O3/c1-16(2)13-26(6,31-24(32)34-25(3,4)5)15-33-23-14-30-22(12-20(23)27)18-9-10-29-21-8-7-17(28)11-19(18)21/h7-12,14,16H,13,15H2,1-6H3,(H,31,32)/t26-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311170
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)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C21H26F3N3O2/c1-13(2)11-20(4,25)12-29-18-6-5-15(9-17(18)21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311363
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)F
Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-17-15(20(21,22)23)7-14(10-26-17)13-5-6-25-16(8-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311206
PNG
((S)-1-(2-(difluoromethyl)-4-(2-methylpyridin-4-yl)...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(C)c1
Show InChI InChI=1S/C20H26F2N2O/c1-13(2)11-20(4,23)12-25-18-6-5-15(10-17(18)19(21)22)16-7-8-24-14(3)9-16/h5-10,13,19H,11-12,23H2,1-4H3/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311382
PNG
((S)-1-((4-chloro-6-(6-chloroquinolin-4-yl)pyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23Cl2N3O/c1-13(2)10-21(3,24)12-27-20-11-26-19(9-17(20)23)15-6-7-25-18-5-4-14(22)8-16(15)18/h4-9,11,13H,10,12,24H2,1-3H3/t21-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311375
PNG
((S)-1-((6-(7-fluoroquinolin-4-yl)-4-methylpyridin-...)
Show SMILES CC(C)C[C@@](C)(COc1cnc(cc1C)-c1ccnc2cc(F)ccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C27H34FN3O3/c1-17(2)14-27(7,31-25(32)34-26(4,5)6)16-33-24-15-30-22(12-18(24)3)21-10-11-29-23-13-19(28)8-9-20(21)23/h8-13,15,17H,14,16H2,1-7H3,(H,31,32)/t27-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311159
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Show SMILES CC(C)C[C@@H](COc1ccc(Br)cc1C)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C18H28BrNO3/c1-12(2)9-15(20-17(21)23-18(4,5)6)11-22-16-8-7-14(19)10-13(16)3/h7-8,10,12,15H,9,11H2,1-6H3,(H,20,21)/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311287
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-5′...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1cc(Cl)ncc1F
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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311232
PNG
((S)-1-(4-(7-chloroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C23H24ClF3N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311374
PNG
((S)-1-((6-(7-chloroquinolin-4-yl)-4-methylpyridin-...)
Show SMILES CC(C)C[C@@](C)(COc1cnc(cc1C)-c1ccnc2cc(Cl)ccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C27H34ClN3O3/c1-17(2)14-27(7,31-25(32)34-26(4,5)6)16-33-24-15-30-22(12-18(24)3)21-10-11-29-23-13-19(28)8-9-20(21)23/h8-13,15,17H,14,16H2,1-7H3,(H,31,32)/t27-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311332
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluoro...)
Show SMILES CC(C)C[C@@](C)(COc1ncc(cc1Cl)-c1ccnc2cc(F)cc(F)c12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H30ClF2N3O3/c1-15(2)12-26(6,32-24(33)35-25(3,4)5)14-34-23-19(27)9-16(13-31-23)18-7-8-30-21-11-17(28)10-20(29)22(18)21/h7-11,13,15H,12,14H2,1-6H3,(H,32,33)/t26-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311222
PNG
((S)-1-((3-chloro-5-(quinolin-4-yl)pyridin-2-yl)oxy...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1Cl)-c1ccnc2ccccc12
Show InChI InChI=1S/C21H24ClN3O/c1-14(2)11-21(3,23)13-26-20-18(22)10-15(12-25-20)16-8-9-24-19-7-5-4-6-17(16)19/h4-10,12,14H,11,13,23H2,1-3H3/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311217
PNG
((S)-1-(4-(6-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2ccc(F)cc12
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-6-5-16(24)11-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311193
PNG
((S)-1-(2-(difluoromethyl)-4-(2-(difluoromethyl)pyr...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(c1)C(F)F
Show InChI InChI=1S/C20H24F4N2O/c1-12(2)10-20(3,25)11-27-17-5-4-13(8-15(17)18(21)22)14-6-7-26-16(9-14)19(23)24/h4-9,12,18-19H,10-11,25H2,1-3H3/t20-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311266
PNG
((S)-1-((4-(difluoromethyl)-2′-methyl-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(C)c1
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-17-10-24-16(8-15(17)18(20)21)14-5-6-23-13(3)7-14/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311264
PNG
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn1
Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-16-10-25-15(8-14(16)18(21)22)13-5-6-24-17(7-13)26-19(27)28-4/h5-8,10,12,18H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1
PDB

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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311160
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...)
Show SMILES CC(C)C[C@@H](COc1ccc(Br)cc1Cl)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C17H25BrClNO3/c1-11(2)8-13(20-16(21)23-17(3,4)5)10-22-15-7-6-12(18)9-14(15)19/h6-7,9,11,13H,8,10H2,1-5H3,(H,20,21)/t13-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311216
PNG
((S)-1-(4-(5,7-difluoroquinolin-4-yl)-2-(trifluorom...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)cc(F)c12
Show InChI InChI=1S/C23H23F5N2O/c1-13(2)11-22(3,29)12-31-20-5-4-14(8-17(20)23(26,27)28)16-6-7-30-19-10-15(24)9-18(25)21(16)19/h4-10,13H,11-12,29H2,1-3H3/t22-/m0/s1
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311360
PNG
((S)-1-(4-(6-chloroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2ccc(Cl)cc12
Show InChI InChI=1S/C23H24ClF3N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-6-5-16(24)11-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311362
PNG
((S)-2,4-dimethyl-1-((5-(quinolin-4-yl)-3-(trifluor...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)(F)F)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-18(22(23,24)25)10-15(12-28-20)16-8-9-27-19-7-5-4-6-17(16)19/h4-10,12,14H,11,13,26H2,1-3H3/t21-/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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311180
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(F)F
Show InChI InChI=1S/C21H27F2N3O3/c1-13(2)11-21(3,24)12-29-17-6-5-14(9-16(17)19(22)23)15-7-8-25-18(10-15)26-20(27)28-4/h5-10,13,19H,11-12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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
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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311199
PNG
((S)-2,4-dimethyl-1-(4-(pyridin-4-yl)-2-(trifluorom...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
PDB

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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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
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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
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
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
PDB

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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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311233
PNG
((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)[N+]#[C-])NC(=O)OC(C)(C)C
Show InChI InChI=1S/C29H32F3N3O3/c1-18(2)16-28(6,35-26(36)38-27(3,4)5)17-37-25-11-8-19(14-23(25)29(30,31)32)21-12-13-34-24-15-20(33-7)9-10-22(21)24/h8-15,18H,16-17H2,1-6H3,(H,35,36)/t28-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem
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n/an/a 0.660n/an/an/an/an/an/a



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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311185
PNG
(US10155760, Example 29 | methyl (4-(4-((2-amino-2,...)
Show SMILES CC(C)CC(C)(COc1ccc(Br)cc1Cl)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25BrClNO3/c1-15(2)12-21(3,14-27-19-10-9-17(22)11-18(19)23)24-20(25)26-13-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,24,25)
PDB

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n/an/a 0.670n/an/an/an/an/an/a



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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311295
PNG
((S)-1-(2-(difluoromethyl)-4-(2-methylpyrimidin-4-y...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(C)n1
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)10-19(4,22)11-25-17-6-5-14(9-15(17)18(20)21)16-7-8-23-13(3)24-16/h5-9,12,18H,10-11,22H2,1-4H3/t19-/m0/s1
PDB

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n/an/a 0.680n/an/an/an/an/an/a



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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311247
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(3-fluor...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(C)c1F
Show InChI InChI=1S/C20H24FN3O/c1-13(2)10-20(4,23)12-25-18-6-5-15(9-16(18)11-22)17-7-8-24-14(3)19(17)21/h5-9,13H,10,12,23H2,1-4H3/t20-/m0/s1
PDB

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UniChem
US Patent
n/an/a 0.680n/an/an/an/an/an/a



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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311182
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(OC(F)(F)F)c1
Show InChI InChI=1S/C21H26F3N3O4/c1-13(2)11-20(3,25)12-30-16-6-5-14(9-17(16)31-21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1
PDB

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US Patent
n/an/a 0.690n/an/an/an/an/an/a



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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311348
PNG
((S)-1-((3-(difluoromethyl)-5-(7-methylquinolin-4-y...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(C)ccc12
Show InChI InChI=1S/C23H27F2N3O/c1-14(2)11-23(4,26)13-29-22-19(21(24)25)10-16(12-28-22)17-7-8-27-20-9-15(3)5-6-18(17)20/h5-10,12,14,21H,11,13,26H2,1-4H3/t23-/m0/s1
PDB

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n/an/a 0.700n/an/an/an/an/an/a



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 US10155760 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens)
BDBM311249
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(5-fluor...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1cc(C)ncc1F
Show InChI InChI=1S/C20H24FN3O/c1-13(2)9-20(4,23)12-25-19-6-5-15(8-16(19)10-22)17-7-14(3)24-11-18(17)21/h5-8,11,13H,9,12,23H2,1-4H3/t20-/m0/s1
PDB

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UniChem
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n/an/a 0.720n/an/an/an/an/an/a



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 US10155760 (2018)

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