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Compile Data Set for Download or QSAR

Found 584 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1'   
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)
BDBM279543
PNG
(4,4,4-trifluoro-1-(5-(pyridin-4-yl)benzo[d]oxazol-...)
Show SMILES NC(CCC(F)(F)F)c1nc2cc(ccc2o1)-c1ccncc1
Show InChI InChI=1S/C16H14F3N3O/c17-16(18,19)6-3-12(20)15-22-13-9-11(1-2-14(13)23-15)10-4-7-21-8-5-10/h1-2,4-5,7-9,12H,3,6,20H2
PDB

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n/an/a 136n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279544
PNG
(1-(5-(3-methoxypyridin-4-yl)benzo[d]oxazol-2-yl)-3...)
Show SMILES COc1cnccc1-c1ccc2oc(nc2c1)C(N)CC(C)C
Show InChI InChI=1S/C18H21N3O2/c1-11(2)8-14(19)18-21-15-9-12(4-5-16(15)23-18)13-6-7-20-10-17(13)22-3/h4-7,9-11,14H,8,19H2,1-3H3
PDB

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n/an/a 294n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279545
PNG
(3-methyl-1-(5-(pyridin-4-yl)benzo[d]thiazol-2-yl)b...)
Show SMILES CC(C)CC(N)c1nc2cc(ccc2s1)-c1ccncc1
Show InChI InChI=1S/C17H19N3S/c1-11(2)9-14(18)17-20-15-10-13(3-4-16(15)21-17)12-5-7-19-8-6-12/h3-8,10-11,14H,9,18H2,1-2H3
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n/an/a 100n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279546
PNG
((R)-3-methyl-1-(5-(pyridin-4-yl)benzo[d]thiazol-2-...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2s1)-c1ccncc1
Show InChI InChI=1S/C17H19N3S/c1-11(2)9-14(18)17-20-15-10-13(3-4-16(15)21-17)12-5-7-19-8-6-12/h3-8,10-11,14H,9,18H2,1-2H3/t14-/m1/s1
PDB

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n/an/a 797n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279546
PNG
((R)-3-methyl-1-(5-(pyridin-4-yl)benzo[d]thiazol-2-...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2s1)-c1ccncc1
Show InChI InChI=1S/C17H19N3S/c1-11(2)9-14(18)17-20-15-10-13(3-4-16(15)21-17)12-5-7-19-8-6-12/h3-8,10-11,14H,9,18H2,1-2H3/t14-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279548
PNG
(3-methyl-1-(6-(pyridin-4-yl)benzo[d]thiazol-2-yl)b...)
Show SMILES Nc1ccc(cc1SSc1cc(ccc1N)-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C22H18N4S2/c23-19-3-1-17(15-5-9-25-10-6-15)13-21(19)27-28-22-14-18(2-4-20(22)24)16-7-11-26-12-8-16/h1-14H,23-24H2
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279549
PNG
(2-(cyclopentylmethyl)-5-(pyridin-4-yl)-1H-benzo[d]...)
Show SMILES C(C1CCCC1)c1nc2cc(ccc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C18H19N3/c1-2-4-13(3-1)11-18-20-16-6-5-15(12-17(16)21-18)14-7-9-19-10-8-14/h5-10,12-13H,1-4,11H2,(H,20,21)
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n/an/a 105n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279550
PNG
(2-isopentyl-6-(oxazol-5-yl)benzo[d]oxazole | US100...)
Show SMILES [O-][N+](=O)c1ccc(cc1Br)-c1cnco1
Show InChI InChI=1S/C9H5BrN2O3/c10-7-3-6(9-4-11-5-15-9)1-2-8(7)12(13)14/h1-5H
PDB

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n/an/a 1.02E+3n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279551
PNG
((R)-N,3-dimethyl-1-(6-(oxazol-5-yl)-1H-benzo[d]imi...)
Show SMILES CN[C@H](CC(C)C)c1nc2ccc(cc2[nH]1)-c1cnco1
Show InChI InChI=1S/C16H20N4O/c1-10(2)6-14(17-3)16-19-12-5-4-11(7-13(12)20-16)15-8-18-9-21-15/h4-5,7-10,14,17H,6H2,1-3H3,(H,19,20)/t14-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279552
PNG
((R)-N-(2-methoxyethyl)-3-methyl-1-(5-(oxazol-5-yl)...)
Show SMILES COCCN[C@H](CC(C)C)c1nc2cc(ccc2[nH]1)-c1cnco1
Show InChI InChI=1S/C18H24N4O2/c1-12(2)8-16(20-6-7-23-3)18-21-14-5-4-13(9-15(14)22-18)17-10-19-11-24-17/h4-5,9-12,16,20H,6-8H2,1-3H3,(H,21,22)/t16-/m1/s1
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n/an/a 680n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279553
PNG
(4-methyl-2-(6-(oxazol-5-yl)-1H-benzo[d]imidazol-2-...)
Show SMILES CC(C)CC(C)(N)c1nc2ccc(cc2[nH]1)-c1cnco1
Show InChI InChI=1S/C16H20N4O/c1-10(2)7-16(3,17)15-19-12-5-4-11(6-13(12)20-15)14-8-18-9-21-14/h4-6,8-10H,7,17H2,1-3H3,(H,19,20)
PDB

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n/an/a 158n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279554
PNG
(4,4,4-trifluoro-1-(6-(oxazol-5-yl)-1H-benzo[d]imid...)
Show SMILES NC(CC(C(F)(F)F)C(F)(F)F)c1nc2ccc(cc2[nH]1)-c1cnco1
Show InChI InChI=1S/C15H12F6N4O/c16-14(17,18)12(15(19,20)21)4-8(22)13-24-9-2-1-7(3-10(9)25-13)11-5-23-6-26-11/h1-3,5-6,8,12H,4,22H2,(H,24,25)
PDB

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n/an/a 381n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279555
PNG
(4,4,4-trifluoro-1-(6-(oxazol-5-yl)-1H-benzo[d]imid...)
Show SMILES NC(CCC(F)(F)F)c1nc2ccc(cc2[nH]1)-c1cnco1
Show InChI InChI=1S/C14H13F3N4O/c15-14(16,17)4-3-9(18)13-20-10-2-1-8(5-11(10)21-13)12-6-19-7-22-12/h1-2,5-7,9H,3-4,18H2,(H,20,21)
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 US10035777 (2018)

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


(Homo sapiens)
BDBM279556
PNG
(2-isopentyl-6-(pyridin-4-yl)-1H-benzo[d]imidazole ...)
Show SMILES CC(C)CCc1nc2ccc(cc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C17H19N3/c1-12(2)3-6-17-19-15-5-4-14(11-16(15)20-17)13-7-9-18-10-8-13/h4-5,7-12H,3,6H2,1-2H3,(H,19,20)
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 US10035777 (2018)

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


(Homo sapiens)
BDBM279557
PNG
(1-(6-methoxy-5-(oxazol-5-yl)-1H-benzo[d]imidazol-2...)
Show SMILES CNC(CC(C)C)c1nc2cc(-c3cnco3)c(OC)cc2[nH]1
Show InChI InChI=1S/C17H22N4O2/c1-10(2)5-14(18-3)17-20-12-6-11(16-8-19-9-23-16)15(22-4)7-13(12)21-17/h6-10,14,18H,5H2,1-4H3,(H,20,21)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279558
PNG
(2-(6-methoxy-5-(oxazol-5-yl)-1H-benzo[d]imidazol-2...)
Show SMILES COc1cc2[nH]c(nc2cc1-c1cnco1)C(C)(N)CC(C)C
Show InChI InChI=1S/C17H22N4O2/c1-10(2)7-17(3,18)16-20-12-5-11(15-8-19-9-23-15)14(22-4)6-13(12)21-16/h5-6,8-10H,7,18H2,1-4H3,(H,20,21)
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 US10035777 (2018)

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


(Homo sapiens)
BDBM279559
PNG
((R)-N,3-dimethyl-1-(5-(pyridazin-4-yl)-1H-benzo[d]...)
Show SMILES CNC(CC(C)C)c1nc2cc(ccc2[nH]1)-c1ccnnc1
Show InChI InChI=1S/C17H21N5/c1-11(2)8-16(18-3)17-21-14-5-4-12(9-15(14)22-17)13-6-7-19-20-10-13/h4-7,9-11,16,18H,8H2,1-3H3,(H,21,22)
PDB

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n/an/a 428n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279479
PNG
((R)-1-(5-methoxy-6-(oxazol-5-yl)-1H-benzo[d]imidaz...)
Show SMILES COc1cc2nc([nH]c2cc1C=C)[C@@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H27N3O3/c1-5-17-12-18-19(13-21(17)28-4)25-22(24-18)20(11-15(2)3)26-23(27)29-14-16-9-7-6-8-10-16/h5-10,12-13,15,20H,1,11,14H2,2-4H3,(H,24,25)(H,26,27)/t20-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279480
PNG
((R)-1-(6-fluoro-5-(pyridin-4-yl)-1H-benzo[d]imidaz...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(c(F)cc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C17H19FN4/c1-10(2)7-14(19)17-21-15-8-12(11-3-5-20-6-4-11)13(18)9-16(15)22-17/h3-6,8-10,14H,7,19H2,1-2H3,(H,21,22)/t14-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279481
PNG
((R)-1-(5-fluoro-6-(oxazol-5-yl)-1H-benzo[d]imidazo...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(F)c(cc2[nH]1)-c1cnco1
Show InChI InChI=1S/C15H17FN4O/c1-8(2)3-11(17)15-19-12-4-9(14-6-18-7-21-14)10(16)5-13(12)20-15/h4-8,11H,3,17H2,1-2H3,(H,19,20)/t11-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279482
PNG
((R)-1-(1-ethyl-6-(oxazol-5-yl)-1H-benzo[d]imidazol...)
Show SMILES CCn1c(nc2ccc(cc12)-c1cnco1)[C@H](N)CC(C)C
Show InChI InChI=1S/C17H22N4O/c1-4-21-15-8-12(16-9-19-10-22-16)5-6-14(15)20-17(21)13(18)7-11(2)3/h5-6,8-11,13H,4,7,18H2,1-3H3/t13-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279483
PNG
((R)-1-(1-ethyl-6-(pyridin-4-yl)-1H-benzo[d]imidazo...)
Show SMILES CCn1c(nc2ccc(cc12)-c1ccncc1)[C@@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-4-31-25-17-22(21-12-14-28-15-13-21)10-11-23(25)29-26(31)24(16-19(2)3)30-27(32)33-18-20-8-6-5-7-9-20/h5-15,17,19,24H,4,16,18H2,1-3H3,(H,30,32)/t24-/m1/s1
PDB

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n/an/a 108n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279484
PNG
((R)-1-(1-ethyl-6-(1H-pyrazol-4-yl)-1H-benzo[d]imid...)
Show SMILES CCn1c(nc2ccc(cc12)-c1cn[nH]c1)[C@H](N)CC(C)C
Show InChI InChI=1S/C17H23N5/c1-4-22-16-8-12(13-9-19-20-10-13)5-6-15(16)21-17(22)14(18)7-11(2)3/h5-6,8-11,14H,4,7,18H2,1-3H3,(H,19,20)/t14-/m1/s1
PDB

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n/an/a 98n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279485
PNG
((R)-1-(6-(3-methoxypyridin-4-yl)-1-(2,2,2-trifluor...)
Show SMILES COc1cnccc1-c1ccc2nc([C@H](N)CC(C)C)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C20H23F3N4O/c1-12(2)8-15(24)19-26-16-5-4-13(14-6-7-25-10-18(14)28-3)9-17(16)27(19)11-20(21,22)23/h4-7,9-10,12,15H,8,11,24H2,1-3H3/t15-/m1/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279486
PNG
((R)-3-methyl-1-(6-(oxazol-5-yl)-1-(2, 2,2-trifluor...)
Show SMILES CC(C)C[C@@H](N)c1nc2ccc(cc2n1CC(F)(F)F)-c1cnco1
Show InChI InChI=1S/C17H19F3N4O/c1-10(2)5-12(21)16-23-13-4-3-11(15-7-22-9-25-15)6-14(13)24(16)8-17(18,19)20/h3-4,6-7,9-10,12H,5,8,21H2,1-2H3/t12-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279487
PNG
((R)-3-methyl-1-(6-(pyridin-4-yl)-1-(2,2,2-trifluor...)
Show SMILES CC(C)C[C@H](N)c1nc2ccc(cc2n1CC(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C19H21F3N4/c1-12(2)9-15(23)18-25-16-4-3-14(13-5-7-24-8-6-13)10-17(16)26(18)11-19(20,21)22/h3-8,10,12,15H,9,11,23H2,1-2H3/t15-/m0/s1
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279488
PNG
((R)-1-(1-(2-methoxyethyl)-6-(pyridin-4-yl)-1H-benz...)
Show SMILES COCCn1c(nc2ccc(cc12)-c1ccncc1)[C@H](N)CC(C)C
Show InChI InChI=1S/C20H26N4O/c1-14(2)12-17(21)20-23-18-5-4-16(15-6-8-22-9-7-15)13-19(18)24(20)10-11-25-3/h4-9,13-14,17H,10-12,21H2,1-3H3/t17-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279489
PNG
((R)-1-(1-(2-methoxyethyl)-6-(oxazol-5-yl)-1H-benzo...)
Show SMILES COCCn1c(nc2ccc(cc12)-c1cnco1)[C@H](N)CC(C)C
Show InChI InChI=1S/C18H24N4O2/c1-12(2)8-14(19)18-21-15-5-4-13(17-10-20-11-24-17)9-16(15)22(18)6-7-23-3/h4-5,9-12,14H,6-8,19H2,1-3H3/t14-/m1/s1
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279490
PNG
((R)-2-(2-(1-amino-3-methylbutyl)-6-(pyridin-4-yl)-...)
Show SMILES CC(C)C[C@@H](N)c1nc2ccc(cc2n1CCO)-c1ccncc1
Show InChI InChI=1S/C19H24N4O/c1-13(2)11-16(20)19-22-17-4-3-15(14-5-7-21-8-6-14)12-18(17)23(19)9-10-24/h3-8,12-13,16,24H,9-11,20H2,1-2H3/t16-/m1/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279491
PNG
((R)-2-(2-(1-amino-3-methylbutyl)-6-(oxazol-5-yl)-1...)
Show SMILES CC(C)C[C@@H](N)c1nc2ccc(cc2n1CCO)-c1cnco1
Show InChI InChI=1S/C17H22N4O2/c1-11(2)7-13(18)17-20-14-4-3-12(16-9-19-10-23-16)8-15(14)21(17)5-6-22/h3-4,8-11,13,22H,5-7,18H2,1-2H3/t13-/m1/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279492
PNG
((R)-3-methyl-1-(1-methyl-6-(pyridin-4-yl)-1H-benzo...)
Show SMILES CC(C)C[C@@H](N)c1nc2ccc(cc2n1C)-c1ccncc1
Show InChI InChI=1S/C18H22N4/c1-12(2)10-15(19)18-21-16-5-4-14(11-17(16)22(18)3)13-6-8-20-9-7-13/h4-9,11-12,15H,10,19H2,1-3H3/t15-/m1/s1
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279493
PNG
((R)-3-methyl-1-(1-propyl-6-(pyridin-4-yl)-1H-benzo...)
Show SMILES CCCn1c(nc2ccc(cc12)-c1ccncc1)[C@H](N)CC(C)C
Show InChI InChI=1S/C20H26N4/c1-4-11-24-19-13-16(15-7-9-22-10-8-15)5-6-18(19)23-20(24)17(21)12-14(2)3/h5-10,13-14,17H,4,11-12,21H2,1-3H3/t17-/m1/s1
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279494
PNG
((R)-1-(1-isopropyl-6-(pyridin-4-yl)-1H-benzo[d]imi...)
Show SMILES CC(C)C[C@@H](N)c1nc2ccc(cc2n1C(C)C)-c1ccncc1
Show InChI InChI=1S/C20H26N4/c1-13(2)11-17(21)20-23-18-6-5-16(15-7-9-22-10-8-15)12-19(18)24(20)14(3)4/h5-10,12-14,17H,11,21H2,1-4H3/t17-/m1/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279495
PNG
((R)-1-(1-ethyl-5-(pyridin-4-yl)-1H-benzo[d]imidazo...)
Show SMILES CCn1c(nc2cc(ccc12)-c1ccncc1)[C@H](N)CC(C)C
Show InChI InChI=1S/C19H24N4/c1-4-23-18-6-5-15(14-7-9-21-10-8-14)12-17(18)22-19(23)16(20)11-13(2)3/h5-10,12-13,16H,4,11,20H2,1-3H3/t16-/m1/s1
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279496
PNG
((R)-1-(1-ethyl-5-(oxazol-5-yl)-1H-benzo[d]imidazol...)
Show SMILES CCn1c(nc2cc(ccc12)-c1cnco1)[C@H](N)CC(C)C
Show InChI InChI=1S/C17H22N4O/c1-4-21-15-6-5-12(16-9-19-10-22-16)8-14(15)20-17(21)13(18)7-11(2)3/h5-6,8-11,13H,4,7,18H2,1-3H3/t13-/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 US10035777 (2018)

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


(Homo sapiens)
BDBM279497
PNG
((R)-1-(5-methoxy-6-(pyridin-4-yl)-1H-benzo[d]imida...)
Show SMILES COc1cc(N)c(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)cc1Br
Show InChI InChI=1S/C21H26BrN3O4/c1-13(2)9-18(25-21(27)29-12-14-7-5-4-6-8-14)20(26)24-17-10-15(22)19(28-3)11-16(17)23/h4-8,10-11,13,18H,9,12,23H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279498
PNG
(2-(2-methylcyclopropyl)-6-(pyridin-4-yl)-1H-benzo[...)
Show SMILES CC1CC1c1nc2ccc(cc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C16H15N3/c1-10-8-13(10)16-18-14-3-2-12(9-15(14)19-16)11-4-6-17-7-5-11/h2-7,9-10,13H,8H2,1H3,(H,18,19)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279499
PNG
(2-(2,2-dimethylcyclopropyl)-6-(pyridin-4-yl)-1H-be...)
Show SMILES CC1(C)CC1C(=O)Nc1ccc(cc1N)-c1ccncc1
Show InChI InChI=1S/C17H19N3O/c1-17(2)10-13(17)16(21)20-15-4-3-12(9-14(15)18)11-5-7-19-8-6-11/h3-9,13H,10,18H2,1-2H3,(H,20,21)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279500
PNG
(2-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-6-(pyr...)
Show SMILES Cn1nc(cc1C(=O)Nc1ccc(cc1N)-c1ccncc1)C(C)(C)C
Show InChI InChI=1S/C20H23N5O/c1-20(2,3)18-12-17(25(4)24-18)19(26)23-16-6-5-14(11-15(16)21)13-7-9-22-10-8-13/h5-12H,21H2,1-4H3,(H,23,26)
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Bristol-Myers Squibb Company

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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279501
PNG
(1-isopropyl-4-(6-(pyridin-4-yl)-1H-benzo[d]imidazo...)
Show SMILES CC(C)N1CC(CC1=O)C(=O)Nc1ccc(cc1N)-c1ccncc1
Show InChI InChI=1S/C19H22N4O2/c1-12(2)23-11-15(10-18(23)24)19(25)22-17-4-3-14(9-16(17)20)13-5-7-21-8-6-13/h3-9,12,15H,10-11,20H2,1-2H3,(H,22,25)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279502
PNG
(3,3,3-trifluoro-2-methyl-1-(6-(pyridin-4-yl)-1H-be...)
Show SMILES CC(C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1N)-c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3/c1-12(21(22,23)24)17(28-19(30)31-20(2,3)4)18(29)27-16-6-5-14(11-15(16)25)13-7-9-26-10-8-13/h5-12,17H,25H2,1-4H3,(H,27,29)(H,28,30)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279503
PNG
(3,3,3-trifluoro-2-methyl-1-(6-(pyridin-4-yl)-1H-be...)
Show SMILES CC(C(N)c1nc2ccc(cc2[nH]1)-c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4/c1-9(16(17,18)19)14(20)15-22-12-3-2-11(8-13(12)23-15)10-4-6-21-7-5-10/h2-9,14H,20H2,1H3,(H,22,23)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279504
PNG
(2-(isopropoxymethyl)-6-(pyridin-4-yl)-1H-benzo[d]i...)
Show SMILES CC(C)OCC(=O)Nc1ccc(cc1N)-c1ccncc1
Show InChI InChI=1S/C16H19N3O2/c1-11(2)21-10-16(20)19-15-4-3-13(9-14(15)17)12-5-7-18-8-6-12/h3-9,11H,10,17H2,1-2H3,(H,19,20)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279505
PNG
(2-(tert-butoxymethyl)-6-(pyridin-4-yl)-1H-benzo[d]...)
Show SMILES CC(C)(C)OCC(=O)Nc1ccc(cc1N)-c1ccncc1
Show InChI InChI=1S/C17H21N3O2/c1-17(2,3)22-11-16(21)20-15-5-4-13(10-14(15)18)12-6-8-19-9-7-12/h4-10H,11,18H2,1-3H3,(H,20,21)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279506
PNG
(2-isopentyl-5-(3-methoxypyridin-4-yl)-1H-benzo[d]i...)
Show SMILES COc1cnccc1-c1ccc2[nH]c(CCC(C)C)nc2c1
Show InChI InChI=1S/C18H21N3O/c1-12(2)4-7-18-20-15-6-5-13(10-16(15)21-18)14-8-9-19-11-17(14)22-3/h5-6,8-12H,4,7H2,1-3H3,(H,20,21)
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 US10035777 (2018)

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


(Homo sapiens)
BDBM279507
PNG
(2-isopentyl-5-(2-methoxypyridin-4-yl)-1H-benzo[d]i...)
Show SMILES COc1cc(ccn1)-c1ccc2[nH]c(CCC(C)C)nc2c1
Show InChI InChI=1S/C18H21N3O/c1-12(2)4-7-17-20-15-6-5-13(10-16(15)21-17)14-8-9-19-18(11-14)22-3/h5-6,8-12H,4,7H2,1-3H3,(H,20,21)
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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 US10035777 (2018)

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


(Homo sapiens)
BDBM279508
PNG
(2-(4-methylpentan-2-yl)-5-(pyridin-4-yl)-1H-benzo[...)
Show SMILES CC(C)CC(C)c1nc2cc(ccc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C18H21N3/c1-12(2)10-13(3)18-20-16-5-4-15(11-17(16)21-18)14-6-8-19-9-7-14/h4-9,11-13H,10H2,1-3H3,(H,20,21)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279509
PNG
((R)-4-(2-(3-methyl-1-(methylamino)butyl)-1H-benzo[...)
Show SMILES CN[C@H](CC(C)C)c1nc2cc(ccc2[nH]1)-c1ccnc(N)c1
Show InChI InChI=1S/C18H23N5/c1-11(2)8-16(20-3)18-22-14-5-4-12(9-15(14)23-18)13-6-7-21-17(19)10-13/h4-7,9-11,16,20H,8H2,1-3H3,(H2,19,21)(H,22,23)/t16-/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279510
PNG
((R)-1-Cyclohexyl-N-methyl-1-(5-(pyridin-4-yl)-1H-b...)
Show SMILES CNC(C1CCCCC1)c1nc2cc(ccc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C20H24N4/c1-21-19(15-5-3-2-4-6-15)20-23-17-8-7-16(13-18(17)24-20)14-9-11-22-12-10-14/h7-13,15,19,21H,2-6H2,1H3,(H,23,24)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/a7.425



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 US10035777 (2018)

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


(Homo sapiens)
BDBM279511
PNG
((R)-N-methyl-4-(2-(3-methyl-1-(methylamino) butyl)...)
Show SMILES CN[C@H](CC(C)C)c1nc2cc(ccc2[nH]1)-c1ccnc(NC)c1
Show InChI InChI=1S/C19H25N5/c1-12(2)9-17(20-3)19-23-15-6-5-13(10-16(15)24-19)14-7-8-22-18(11-14)21-4/h5-8,10-12,17,20H,9H2,1-4H3,(H,21,22)(H,23,24)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/a7.425



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 US10035777 (2018)

More data for this
Ligand-Target Pair
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