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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))
BDBM311313
PNG
((R)-1-((4-(difluoromethyl)-2′-ethyl-[2,4R...)
Show SMILES CCc1cc(ccn1)-c1cc(C(F)F)c(OC[C@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C20H27F2N3O/c1-5-15-8-14(6-7-24-15)17-9-16(19(21)22)18(11-25-17)26-12-20(4,23)10-13(2)3/h6-9,11,13,19H,5,10,12,23H2,1-4H3/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))
BDBM311318
PNG
((R)-1-((2′,4-bis(difluoromethyl)-[2,4′...)
Show SMILES CC(C)C[C@@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/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))
BDBM311336
PNG
((S)-1-((2′-chloro-5-(difluoromethyl)-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-17-14(16(20)21)6-13(9-24-17)12-4-5-23-15(19)7-12/h4-7,9,11,16H,8,10,22H2,1-3H3/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))
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))
BDBM311352
PNG
((S)-2,4-dimethyl-1-((4-(quinolin-4-yl)naphthalen-1...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O/c1-18(2)16-26(3,27)17-29-25-13-12-20(19-8-4-5-10-23(19)25)21-14-15-28-24-11-7-6-9-22(21)24/h4-15,18H,16-17,27H2,1-3H3/t26-/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))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/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))
BDBM311356
PNG
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/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))
BDBM311160
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C19H24ClN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/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))
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 |r|
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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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))
BDBM311181
PNG
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(t...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C21H26F3N3O3/c1-13(2)11-20(4,25)12-29-17-6-5-15(9-18(17)30-21(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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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
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))
BDBM311253
PNG
((S)-2-((2-amino-4-methylpentyloxy)-5-(6-methylpyri...)
Show SMILES CC(C)C[C@@H](COc1ccc(cc1C#N)-c1cnnc(C)c1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C23H30N4O3/c1-15(2)9-20(26-22(28)30-23(4,5)6)14-29-21-8-7-17(11-18(21)12-24)19-10-16(3)27-25-13-19/h7-8,10-11,13,15,20H,9,14H2,1-6H3,(H,26,28)/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))
BDBM311257
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)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/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 US10544120 (2020)


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


(Homo sapiens (Human))
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 |r|
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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM311268
PNG
((S)-1-((2′,4-bis(difluoromethyl)-[2,4′...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/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))
BDBM311270
PNG
((S)-1-(2-cyclopropyl-4-(2-(difluoromethyl)pyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C22H28F2N2O/c1-14(2)12-22(3,25)13-27-20-7-6-16(10-18(20)15-4-5-15)17-8-9-26-19(11-17)21(23)24/h6-11,14-15,21H,4-5,12-13,25H2,1-3H3/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))
BDBM311294
PNG
((S)-1-((4-(difluoromethyl)-6-(2-methylpyrimidin-4-...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(C)n1 |r|
Show InChI InChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(3)24-14/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))
BDBM311296
PNG
((S)-5-((2-amino-2,4-dimethylpentyl)oxy)-3′-f...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1C)-c1ccnc(N)c1F |r|
Show InChI InChI=1S/C18H25FN4O/c1-11(2)9-18(4,21)10-24-15-6-5-14(23-12(15)3)13-7-8-22-17(20)16(13)19/h5-8,11H,9-10,21H2,1-4H3,(H2,20,22)/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))
BDBM311365
PNG
((S)-1-((5-(6-chloroquinolin-4-yl)-3-methylpyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C)-c1ccnc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C22H26ClN3O/c1-14(2)11-22(4,24)13-27-21-15(3)9-16(12-26-21)18-7-8-25-20-6-5-17(23)10-19(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))
BDBM311368
PNG
((S)-1-((5-(7-chloroquinolin-4-yl)-3-methylpyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C)-c1ccnc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C22H26ClN3O/c1-14(2)11-22(4,24)13-27-21-15(3)9-16(12-26-21)18-7-8-25-20-10-17(23)5-6-19(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))
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))
BDBM311371
PNG
((S)-1-((2′,4-dimethyl-[2,4′-bipyridin]...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C24H35N3O3/c1-16(2)13-24(8,27-22(28)30-23(5,6)7)15-29-21-14-26-20(11-17(21)3)19-9-10-25-18(4)12-19/h9-12,14,16H,13,15H2,1-8H3,(H,27,28)/t24-/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))
BDBM311373
PNG
((S)-1-((6-(6-fluoroquinolin-4-yl)-4-methylpyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H26FN3O/c1-14(2)11-22(4,24)13-27-21-12-26-20(9-15(21)3)17-7-8-25-19-6-5-16(23)10-18(17)19/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))
BDBM311385
PNG
((S)-1-((4-chloro-6-(7-(trifluoromethyl)quinolin-4-...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C22H23ClF3N3O/c1-13(2)10-21(3,27)12-30-20-11-29-19(9-17(20)23)16-6-7-28-18-8-14(22(24,25)26)4-5-15(16)18/h4-9,11,13H,10,12,27H2,1-3H3/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))
BDBM311393
PNG
(N-(4′-((2-amino-2,4-dimethylpentyl)oxy)-3...)
Show SMILES CC(C)CC(C)(COc1ccc(Br)cc1C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H28BrNO3/c1-16(2)13-22(4,15-27-20-11-10-19(23)12-17(20)3)24-21(25)26-14-18-8-6-5-7-9-18/h5-12,16H,13-15H2,1-4H3,(H,24,25)
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))
BDBM427286
PNG
((S)-6-(4-((2-amino-2,4-dimethylpentyl) oxy)-3-(tri...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1cc(N)ncn1 |r|
Show InChI InChI=1S/C18H23F3N4O/c1-11(2)8-17(3,23)9-26-15-5-4-12(6-13(15)18(19,20)21)14-7-16(22)25-10-24-14/h4-7,10-11H,8-9,23H2,1-3H3,(H2,22,24,25)/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))
BDBM427292
PNG
((S)-2,4-dimethyl-1-((5-(2-methylpyrimidin-4-yl)-3-...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1-c1cnco1)-c1ccnc(C)n1 |r|
Show InChI InChI=1S/C20H25N5O2/c1-13(2)8-20(4,21)11-26-19-16(18-10-22-12-27-18)7-15(9-24-19)17-5-6-23-14(3)25-17/h5-7,9-10,12-13H,8,11,21H2,1-4H3/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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM427294
PNG
((S)-methyl (5-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(cnn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C20H25N5O3/c1-13(2)9-20(3,22)12-28-17-6-5-14(7-15(17)10-21)16-8-18(25-23-11-16)24-19(26)27-4/h5-8,11,13H,9,12,22H2,1-4H3,(H,24,25,26)/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))
BDBM427299
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1nccc(n1)-c1ccc(OC[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)c(Cl)c1 |r|
Show InChI InChI=1S/C24H33ClN4O5/c1-15(2)13-24(6,29-22(31)34-23(3,4)5)14-33-19-9-8-16(12-17(19)25)18-10-11-26-20(27-18)28-21(30)32-7/h8-12,15H,13-14H2,1-7H3,(H,29,31)(H,26,27,28,30)/t24-/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))
BDBM427387
PNG
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2,5-difl...)
Show SMILES CC(C)C[C@](C)(N)COc1cc(F)c(cc1F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H22F4N2O/c1-11(2)9-19(3,24)10-26-17-8-14(20)13(7-15(17)21)12-4-5-25-16(6-12)18(22)23/h4-8,11,18H,9-10,24H2,1-3H3/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))
BDBM427308
PNG
((S)-1-(4-(2-methoxypyrimidin-4-yl)-2-(trifluoromet...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc(Cl)n1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C23H29ClF3N3O3/c1-14(2)12-22(6,30-20(31)33-21(3,4)5)13-32-18-8-7-15(11-16(18)23(25,26)27)17-9-10-28-19(24)29-17/h7-11,14H,12-13H2,1-6H3,(H,30,31)/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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM427311
PNG
((S)-1-((2-(difluoromethyl)-6-(2-(difluoromethyl)py...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(n1)C(F)F |r|
Show InChI InChI=1S/C18H22F4N4O/c1-10(2)8-18(3,23)9-27-13-5-4-11(25-14(13)15(19)20)12-6-7-24-17(26-12)16(21)22/h4-7,10,15-16H,8-9,23H2,1-3H3/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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM427320
PNG
((S)-2,4-dimethyl-1-(2-methyl-4-(2-(trifluoromethyl...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C)-c1ccnc(n1)C(F)(F)F)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H32F3N3O3/c1-15(2)13-23(7,30-21(31)33-22(4,5)6)14-32-19-9-8-17(12-16(19)3)18-10-11-28-20(29-18)24(25,26)27/h8-12,15H,13-14H2,1-7H3,(H,30,31)/t23-/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))
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))
BDBM427348
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1nccc(n1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(CF)n1 |r|
Show InChI InChI=1S/C19H26FN5O3/c1-12(2)9-19(3,21)11-28-16-6-5-13(23-15(16)10-20)14-7-8-22-17(24-14)25-18(26)27-4/h5-8,12H,9-11,21H2,1-4H3,(H,22,24,25,26)/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))
BDBM427357
PNG
((S)-1-(2,5-difluoro-4-(6-methylpyrimidin-4-yl)phen...)
Show SMILES CC(C)C[C@](C)(N)COc1cc(F)c(cc1F)-c1cc(C)ncn1 |r|
Show InChI InChI=1S/C18H23F2N3O/c1-11(2)8-18(4,21)9-24-17-7-14(19)13(6-15(17)20)16-5-12(3)22-10-23-16/h5-7,10-11H,8-9,21H2,1-4H3/t18-/m0/s1
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n/an/a 63n/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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM427361
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(6-metho...)
Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C#N)-c1cc(Cl)ncn1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C23H29ClN4O3/c1-15(2)11-23(6,28-21(29)31-22(3,4)5)13-30-19-8-7-16(9-17(19)12-25)18-10-20(24)27-14-26-18/h7-10,14-15H,11,13H2,1-6H3,(H,28,29)/t23-/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))
BDBM311195
PNG
((S)-1-(4-(3-chloro-2-fluoropyridin-4-yl)-2-(triflu...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(F)c1Cl |r|
Show InChI InChI=1S/C19H21ClF4N2O/c1-11(2)9-18(3,25)10-27-15-5-4-12(8-14(15)19(22,23)24)13-6-7-26-17(21)16(13)20/h4-8,11H,9-10,25H2,1-3H3/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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM311197
PNG
((S)-1-(4-(2-fluoro-3-methylpyridin-4-yl)-2-(triflu...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(F)c1C |r|
Show InChI InChI=1S/C20H24F4N2O/c1-12(2)10-19(4,25)11-27-17-6-5-14(9-16(17)20(22,23)24)15-7-8-26-18(21)13(15)3/h5-9,12H,10-11,25H2,1-4H3/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))
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))
BDBM311212
PNG
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C20H28N4O3/c1-13(2)10-20(4,21)12-27-17-11-23-16(8-14(17)3)15-6-7-22-18(9-15)24-19(25)26-5/h6-9,11,13H,10,12,21H2,1-5H3,(H,22,24,25)/t20-/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))
BDBM311219
PNG
(1-(2-chloro-6-fluoro-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)CC(C)(N)COc1c(F)cc(cc1Cl)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3
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))
BDBM311227
PNG
((S)-1-((2-chloro-6-(quinolin-4-yl)pyridin-3-yl)oxy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1Cl)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C21H24ClN3O/c1-14(2)12-21(3,23)13-26-19-9-8-18(25-20(19)22)16-10-11-24-17-7-5-4-6-15(16)17/h4-11,14H,12-13,23H2,1-3H3/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 US10544120 (2020)


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


(Homo sapiens (Human))
BDBM311231
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(1,5-nap...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc2cccnc12 |r|
Show InChI InChI=1S/C22H24N4O/c1-15(2)12-22(3,24)14-27-20-7-6-16(11-17(20)13-23)18-8-10-25-19-5-4-9-26-21(18)19/h4-11,15H,12,14,24H2,1-3H3/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))
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 |r|
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
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
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* indicates data uncertainty>20%