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Patent code US8481733

Compile Data Set for Download or QSAR

Found 348 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
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98411
PNG
(US8481733, 223)
Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc(-c2ccc(cc2)N2CCN(C)CC2)n2ccnc(N)c12
Show InChI InChI=1S/C31H30N6O2/c1-35-16-18-36(19-17-35)24-11-8-22(9-12-24)31-34-27(28-30(32)33-14-15-37(28)31)23-10-13-25(26(20-23)39-2)29(38)21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H2,32,33)
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n/an/a 30n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98237
PNG
(US8481733, 49)
Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C24H22N4O2/c1-30-19-14-17(10-11-18(19)22(29)15-6-3-2-4-7-15)20-21-23(25)26-12-13-28(21)24(27-20)16-8-5-9-16/h2-4,6-7,10-14,16H,5,8-9H2,1H3,(H2,25,26)
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n/an/a 35.2n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98449
PNG
(US8481733, 261)
Show SMILES Nc1cc(ccc1C(=O)c1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C23H21N5O/c24-18-13-16(9-10-17(18)21(29)14-5-2-1-3-6-14)19-20-22(25)26-11-12-28(20)23(27-19)15-7-4-8-15/h1-3,5-6,9-13,15H,4,7-8,24H2,(H2,25,26)
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n/an/a 36.9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98341
PNG
(US8481733, 219)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H27N5O2/c1-32(2)18-19-34-22-12-10-21(11-13-22)28-31-25(26-27(29)30-16-17-33(26)28)20-8-14-24(15-9-20)35-23-6-4-3-5-7-23/h3-17H,18-19H2,1-2H3,(H2,29,30)
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n/an/a 43.9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98208
PNG
(US8481733, 20)
Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25)
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n/an/a 48.7n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98200
PNG
(US8481733, 11)
Show SMILES Nc1nccn2c(nc(-c3ccc(OC4CCCCO4)cc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:23.26,25.29,(-3.76,1.53,;-3.76,-.01,;-5.09,-.78,;-5.09,-2.32,;-3.76,-3.09,;-2.43,-2.32,;-.96,-2.8,;-.06,-1.55,;-.96,-.31,;-.56,1.18,;.92,1.58,;1.32,3.07,;.23,4.16,;.63,5.64,;2.12,6.04,;2.52,7.53,;4.01,7.93,;5.09,6.84,;4.7,5.35,;3.21,4.95,;-1.25,3.76,;-1.65,2.27,;-2.43,-.78,;-.56,-4.29,;-1.33,-5.62,;-0,-6.39,;-0,-7.93,;.77,-5.06,)|
Show InChI InChI=1S/C21H24N4O3/c22-20-19-18(24-21(14-11-15(26)12-14)25(19)9-8-23-20)13-4-6-16(7-5-13)28-17-3-1-2-10-27-17/h4-9,14-15,17,26H,1-3,10-12H2,(H2,22,23)/t14-,15+,17?
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n/an/a 50n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98450
PNG
(US8481733, 262)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(N)c2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;3.26,5.25,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)|
Show InChI InChI=1S/C24H23N5O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13,25H2,1H3,(H2,26,27)/t16-,24+
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n/an/a 50n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98274
PNG
(US8481733, 86)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)c(O)c3)c12)C1CCC1
Show InChI InChI=1S/C22H20N4O2/c23-21-20-19(25-22(14-5-4-6-14)26(20)12-11-24-21)15-9-10-18(17(27)13-15)28-16-7-2-1-3-8-16/h1-3,7-14,27H,4-6H2,(H2,23,24)
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n/an/a 58.9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98238
PNG
(US8481733, 50)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)c3ccccc3)c12)C1CCC1
Show InChI InChI=1S/C23H19FN4O/c24-18-13-16(21(29)14-5-2-1-3-6-14)9-10-17(18)19-20-22(25)26-11-12-28(20)23(27-19)15-7-4-8-15/h1-3,5-6,9-13,15H,4,7-8H2,(H2,25,26)
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n/an/a 60.4n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98343
PNG
(US8481733, 155)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C29H28N6O/c1-33-17-19-34(20-18-33)23-11-7-22(8-12-23)29-32-26(27-28(30)31-15-16-35(27)29)21-9-13-25(14-10-21)36-24-5-3-2-4-6-24/h2-16H,17-20H2,1H3,(H2,30,31)
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n/an/a 66.7n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98260
PNG
(US8481733, 72)
Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-17(29-16-8-3-2-4-9-16)10-11-18(19)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25)
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n/an/a 75n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98426
PNG
(US8481733, 238)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r,wU:7.10,wD:4.3,(-1.94,-7.74,;-.46,-8.14,;-.06,-9.63,;.63,-7.05,;.23,-5.56,;1.32,-4.47,;.92,-2.99,;-.56,-2.59,;-1.65,-3.68,;-1.25,-5.16,;-.96,-1.1,;-.06,.15,;-.96,1.39,;-.56,2.88,;.92,3.28,;1.32,4.77,;.23,5.85,;.63,7.34,;2.12,7.74,;3.21,6.65,;4.7,7.05,;5.09,8.54,;4.01,9.63,;2.52,9.23,;-1.25,5.46,;-1.65,3.97,;-2.43,.92,;-3.76,1.69,;-3.76,3.23,;-5.09,.92,;-5.09,-.62,;-3.76,-1.39,;-2.43,-.62,)|
Show InChI InChI=1S/C27H31N5O/c1-31(2)18-19-8-10-21(11-9-19)27-30-24(25-26(28)29-16-17-32(25)27)20-12-14-23(15-13-20)33-22-6-4-3-5-7-22/h3-7,12-17,19,21H,8-11,18H2,1-2H3,(H2,28,29)/t19-,21-
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n/an/a 75.1n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98226
PNG
(US8481733, 38)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3)c12)C1CCC1
Show InChI InChI=1S/C23H20N4O/c24-22-20-19(26-23(18-7-4-8-18)27(20)14-13-25-22)15-9-11-17(12-10-15)21(28)16-5-2-1-3-6-16/h1-3,5-6,9-14,18H,4,7-8H2,(H2,24,25)
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n/an/a 86.5n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98209
PNG
(US8481733, 21)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)c(F)c3)c12)C1CCC1
Show InChI InChI=1S/C22H19FN4O/c23-17-13-15(9-10-18(17)28-16-7-2-1-3-8-16)19-20-21(24)25-11-12-27(20)22(26-19)14-5-4-6-14/h1-3,7-14H,4-6H2,(H2,24,25)
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n/an/a 88n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98297
PNG
(US8481733, 109)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)|
Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+
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n/an/a 88.6n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98236
PNG
(US8481733, 48)
Show SMILES CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C24H24N4O/c1-24(29,18-8-3-2-4-9-18)19-12-10-16(11-13-19)20-21-22(25)26-14-15-28(21)23(27-20)17-6-5-7-17/h2-4,8-15,17,29H,5-7H2,1H3,(H2,25,26)
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n/an/a 90n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98376
PNG
(US8481733, 188)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4F)cc3)c12)C1CCC1
Show InChI InChI=1S/C22H19FN4O/c23-17-6-1-2-7-18(17)28-16-10-8-14(9-11-16)19-20-21(24)25-12-13-27(20)22(26-19)15-4-3-5-15/h1-2,6-13,15H,3-5H2,(H2,24,25)
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n/an/a 95.2n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98195
PNG
(US8481733, 6)
Show SMILES CC(C)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C21H20N4O/c1-14(2)21-24-18(19-20(22)23-12-13-25(19)21)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23)
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n/an/a 95.8n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98259
PNG
(US8481733, 71)
Show SMILES Nc1nccn2c(nc(-c3ccc(OC4CCCCO4)cc3)c12)C1CCC1
Show InChI InChI=1S/C21H24N4O2/c22-20-19-18(24-21(15-4-3-5-15)25(19)12-11-23-20)14-7-9-16(10-8-14)27-17-6-1-2-13-26-17/h7-12,15,17H,1-6,13H2,(H2,22,23)
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n/an/a 100n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98370
PNG
(US8481733, 182)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)C1CCC1
Show InChI InChI=1S/C22H19FN4O/c23-16-5-2-6-18(13-16)28-17-9-7-14(8-10-17)19-20-21(24)25-11-12-27(20)22(26-19)15-3-1-4-15/h2,5-13,15H,1,3-4H2,(H2,24,25)
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n/an/a 109n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98446
PNG
(US8481733, 258)
Show SMILES Nc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12
Show InChI InChI=1S/C22H21N5O/c23-17-13-15(9-10-18(17)28-16-7-2-1-3-8-16)19-20-21(24)25-11-12-27(20)22(26-19)14-5-4-6-14/h1-3,7-14H,4-6,23H2,(H2,24,25)
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n/an/a 110n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98440
PNG
(US8481733, 252)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:24.27,26.30,(-2.27,.81,;-2.27,-.73,;-3.61,-1.5,;-3.61,-3.04,;-2.27,-3.81,;-.94,-3.04,;.53,-3.51,;1.43,-2.27,;.53,-1.02,;.92,.46,;2.41,.86,;2.81,2.35,;1.72,3.44,;.23,3.04,;-.17,1.55,;2.12,4.93,;3.61,5.33,;1.03,6.02,;1.43,7.5,;.34,8.59,;-1.15,8.19,;-1.55,6.71,;-.46,5.62,;-.94,-1.5,;.92,-5,;.15,-6.34,;1.49,-7.11,;1.89,-8.59,;2.26,-5.77,)|
Show InChI InChI=1S/C23H20N4O2/c24-22-20-19(26-23(17-12-18(28)13-17)27(20)11-10-25-22)14-6-8-16(9-7-14)21(29)15-4-2-1-3-5-15/h1-11,17-18,28H,12-13H2,(H2,24,25)/t17-,18+
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n/an/a 112n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98280
PNG
(US8481733, 92)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;-1.65,2.17,;-1.25,3.65,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;1.32,2.96,;2.81,3.36,;.92,1.48,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)|
Show InChI InChI=1S/C23H21FN4O2/c1-23(29)12-15(13-23)22-27-19(20-21(25)26-9-10-28(20)22)14-7-8-18(17(24)11-14)30-16-5-3-2-4-6-16/h2-11,15,29H,12-13H2,1H3,(H2,25,26)/t15-,23+
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n/an/a 115n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98295
PNG
(US8481733, 107)
Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:19.20,21.24,wD:21.23,(-3.88,4.74,;-2.34,4.74,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)|
Show InChI InChI=1S/C25H24N4O3/c1-25(31)13-17(14-25)24-28-20(21-23(26)27-10-11-29(21)24)16-8-9-18(19(12-16)32-2)22(30)15-6-4-3-5-7-15/h3-12,17,31H,13-14H2,1-2H3,(H2,26,27)/t17-,25+
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n/an/a 117n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98282
PNG
(US8481733, 94)
Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)|
Show InChI InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)/t15-,24+
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n/an/a 119n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98347
PNG
(US8481733, 159)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cc[nH]c1
Show InChI InChI=1S/C22H17N5O/c23-21-20-19(26-22(16-10-11-24-14-16)27(20)13-12-25-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-14,24H,(H2,23,25)
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n/an/a 122n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98474
PNG
(US8481733, 286)
Show SMILES Nc1ncnn2c(nc(-c3ccc(cc3F)C(=O)c3ccccc3)c12)C1CCC1
Show InChI InChI=1S/C22H18FN5O/c23-17-11-15(20(29)13-5-2-1-3-6-13)9-10-16(17)18-19-21(24)25-12-26-28(19)22(27-18)14-7-4-8-14/h1-3,5-6,9-12,14H,4,7-8H2,(H2,24,25,26)
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n/an/a 136n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98296
PNG
(US8481733, 108)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;3.15,-.3,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)|
Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+
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n/an/a 137n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98428
PNG
(US8481733, 240)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1C[C@H](CO)C1 |r,wU:23.26,wD:25.29,(-3.76,2.05,;-3.76,.51,;-5.09,-.26,;-5.09,-1.8,;-3.76,-2.57,;-2.43,-1.8,;-.96,-2.28,;-.06,-1.03,;-.96,.21,;-.56,1.7,;.92,2.1,;1.32,3.59,;.23,4.67,;.63,6.16,;2.12,6.56,;3.21,5.47,;4.7,5.87,;5.09,7.36,;4.01,8.45,;2.52,8.05,;-1.25,4.28,;-1.65,2.79,;-2.43,-.26,;-.56,-3.77,;.77,-4.54,;-0,-5.87,;.4,-7.36,;-.69,-8.45,;-1.33,-5.1,)|
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(16-6-8-19(9-7-16)29-18-4-2-1-3-5-18)26-23(27(21)11-10-25-22)17-12-15(13-17)14-28/h1-11,15,17,28H,12-14H2,(H2,24,25)/t15-,17-
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n/an/a 139n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98293
PNG
(US8481733, 105)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(F)c2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-2.34,4.74,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)|
Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+
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n/an/a 140n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98336
PNG
(US8481733, 148)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccoc1
Show InChI InChI=1S/C22H16N4O2/c23-21-20-19(25-22(16-10-13-27-14-16)26(20)12-11-24-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-14H,(H2,23,24)
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n/an/a 145n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM50199622
PNG
(3-cyclobutyl-1-(4-phenoxyphenyl)imidazo[1,5-a]pyra...)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC1
Show InChI InChI=1S/C22H20N4O/c23-21-20-19(25-22(16-5-4-6-16)26(20)14-13-24-21)15-9-11-18(12-10-15)27-17-7-2-1-3-8-17/h1-3,7-14,16H,4-6H2,(H2,23,24)
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n/an/a 148n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98199
PNG
(US8481733, 10)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:23.26,25.29,(-5.14,3.1,;-5.14,1.56,;-6.48,.79,;-6.48,-.75,;-5.14,-1.52,;-3.81,-.75,;-2.34,-1.23,;-1.44,.02,;-2.34,1.26,;-1.25,2.35,;.23,1.95,;1.32,3.04,;.92,4.53,;2.01,5.62,;3.5,5.22,;3.9,3.73,;5.39,3.33,;6.48,4.42,;6.08,5.91,;4.59,6.31,;-.56,4.93,;-1.65,3.84,;-3.81,.79,;-1.94,-2.72,;-2.71,-4.05,;-1.38,-4.82,;-.98,-6.31,;-.61,-3.49,)|
Show InChI InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+
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n/an/a 153n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98424
PNG
(US8481733, 236)
Show SMILES CNC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r,wU:6.9,wD:3.2,(-1.94,-8.48,;-.46,-8.88,;.63,-7.79,;.23,-6.31,;1.32,-5.22,;.92,-3.73,;-.56,-3.33,;-1.65,-4.42,;-1.25,-5.91,;-.96,-1.84,;-.06,-.6,;-.96,.65,;-.56,2.14,;.92,2.53,;1.32,4.02,;.23,5.11,;.63,6.6,;2.12,7,;3.21,5.91,;4.7,6.31,;5.09,7.79,;4.01,8.88,;2.52,8.48,;-1.25,4.71,;-1.65,3.22,;-2.43,.17,;-3.76,.94,;-3.76,2.48,;-5.09,.17,;-5.09,-1.37,;-3.76,-2.14,;-2.43,-1.37,)|
Show InChI InChI=1S/C26H29N5O/c1-28-17-18-7-9-20(10-8-18)26-30-23(24-25(27)29-15-16-31(24)26)19-11-13-22(14-12-19)32-21-5-3-2-4-6-21/h2-6,11-16,18,20,28H,7-10,17H2,1H3,(H2,27,29)/t18-,20-
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n/an/a 154n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98459
PNG
(US8481733, 271)
Show SMILES NC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12 |r,wU:5.8,wD:2.1,(-.46,-8.88,;.63,-7.79,;.23,-6.31,;1.32,-5.22,;.92,-3.73,;-.56,-3.33,;-1.65,-4.42,;-1.25,-5.91,;-.96,-1.84,;-.06,-.6,;-.96,.65,;-.56,2.14,;.92,2.53,;1.32,4.02,;.23,5.11,;.63,6.6,;2.12,7,;3.21,5.91,;4.7,6.31,;5.09,7.79,;4.01,8.88,;2.52,8.48,;-1.25,4.71,;-1.65,3.22,;-2.43,.17,;-3.76,.94,;-3.76,2.48,;-5.09,.17,;-5.09,-1.37,;-3.76,-2.14,;-2.43,-1.37,)|
Show InChI InChI=1S/C24H26N6O/c25-14-16-6-8-18(9-7-16)24-29-21(22-23(26)27-15-28-30(22)24)17-10-12-20(13-11-17)31-19-4-2-1-3-5-19/h1-5,10-13,15-16,18H,6-9,14,25H2,(H2,26,27,28)/t16-,18-
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n/an/a 176n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98279
PNG
(US8481733, 91)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(OC3CCCCO3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;2.52,7.43,;4.01,7.83,;5.09,6.74,;4.7,5.25,;3.21,4.85,;-1.25,3.65,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)|
Show InChI InChI=1S/C22H26N4O3/c1-22(27)12-15(13-22)21-25-18(19-20(23)24-9-10-26(19)21)14-5-7-16(8-6-14)29-17-4-2-3-11-28-17/h5-10,15,17,27H,2-4,11-13H2,1H3,(H2,23,24)/t15-,17?,22+
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n/an/a 178n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98257
PNG
(US8481733, 69)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3Cl)C(=O)c3ccccc3)c12)C1CCC1
Show InChI InChI=1S/C23H19ClN4O/c24-18-13-16(21(29)14-5-2-1-3-6-14)9-10-17(18)19-20-22(25)26-11-12-28(20)23(27-19)15-7-4-8-15/h1-3,5-6,9-13,15H,4,7-8H2,(H2,25,26)
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n/an/a 181n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98235
PNG
(US8481733, 47)
Show SMILES Nc1nccn2c(nc(-c3ccc(C(=O)c4ccccc4)c(F)c3)c12)C1CCC1
Show InChI InChI=1S/C23H19FN4O/c24-18-13-16(9-10-17(18)21(29)14-5-2-1-3-6-14)19-20-22(25)26-11-12-28(20)23(27-19)15-7-4-8-15/h1-3,5-6,9-13,15H,4,7-8H2,(H2,25,26)
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n/an/a 181n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98276
PNG
(US8481733, 88)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.58,-8.19,;1.49,-7.11,;1.09,-8.59,;2.26,-5.77,;.92,-5,;.15,-6.34,;.53,-3.51,;1.43,-2.27,;.53,-1.02,;.92,.46,;2.41,.86,;2.81,2.35,;1.72,3.44,;.23,3.04,;-.17,1.55,;2.12,4.93,;3.61,5.33,;1.03,6.02,;1.43,7.5,;.34,8.59,;-1.15,8.19,;-1.55,6.71,;-.46,5.62,;-.94,-1.5,;-2.27,-.73,;-2.27,.81,;-3.61,-1.5,;-3.61,-3.04,;-2.27,-3.81,;-.94,-3.04,)|
Show InChI InChI=1S/C24H22N4O2/c1-24(30)13-18(14-24)23-27-19(20-22(25)26-11-12-28(20)23)15-7-9-17(10-8-15)21(29)16-5-3-2-4-6-16/h2-12,18,30H,13-14H2,1H3,(H2,25,26)/t18-,24+
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n/an/a 183n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98329
PNG
(US8481733, 141)
Show SMILES Nc1ccc(cc1)-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C24H19N5O/c25-18-10-6-17(7-11-18)24-28-21(22-23(26)27-14-15-29(22)24)16-8-12-20(13-9-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,27)
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n/an/a 183n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98351
PNG
(US8481733, 163)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C25H19N5O2/c26-23-22-21(16-10-12-20(13-11-16)32-19-4-2-1-3-5-19)29-25(30(22)15-14-28-23)18-8-6-17(7-9-18)24(27)31/h1-15H,(H2,26,28)(H2,27,31)
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n/an/a 188n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98253
PNG
(US8481733, 65)
Show SMILES COc1cc(ccc1-c1nc(C2CCC2)n2ccnc(N)c12)C(C)(O)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c1-25(30,17-9-4-3-5-10-17)18-11-12-19(20(15-18)31-2)21-22-23(26)27-13-14-29(22)24(28-21)16-7-6-8-16/h3-5,9-16,30H,6-8H2,1-2H3,(H2,26,27)
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n/an/a 188n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98465
PNG
(US8481733, 277)
Show SMILES Nc1ncnn2c(nc(-c3ccc(Oc4ccccc4)c(F)c3)c12)C1CCC1
Show InChI InChI=1S/C21H18FN5O/c22-16-11-14(9-10-17(16)28-15-7-2-1-3-8-15)18-19-20(23)24-12-25-27(19)21(26-18)13-5-4-6-13/h1-3,7-13H,4-6H2,(H2,23,24,25)
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n/an/a 197n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98460
PNG
(US8481733, 272)
Show SMILES Nc1ncnn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@H](CO)CC1 |r,wU:23.26,wD:26.30,(-3.76,2.48,;-3.76,.94,;-5.09,.17,;-5.09,-1.37,;-3.76,-2.14,;-2.43,-1.37,;-.96,-1.84,;-.06,-.6,;-.96,.65,;-.56,2.14,;.92,2.53,;1.32,4.02,;.23,5.11,;.63,6.6,;2.12,7,;3.21,5.91,;4.7,6.31,;5.09,7.79,;4.01,8.88,;2.52,8.48,;-1.25,4.71,;-1.65,3.22,;-2.43,.17,;-.56,-3.33,;.92,-3.73,;1.32,-5.22,;.23,-6.31,;.63,-7.79,;-.46,-8.88,;-1.25,-5.91,;-1.65,-4.42,)|
Show InChI InChI=1S/C24H25N5O2/c25-23-22-21(17-10-12-20(13-11-17)31-19-4-2-1-3-5-19)28-24(29(22)27-15-26-23)18-8-6-16(14-30)7-9-18/h1-5,10-13,15-16,18,30H,6-9,14H2,(H2,25,26,27)/t16-,18-
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n/an/a 199n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98464
PNG
(US8481733, 276)
Show SMILES Nc1ncnn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC1
Show InChI InChI=1S/C21H19N5O/c22-20-19-18(25-21(15-5-4-6-15)26(19)24-13-23-20)14-9-11-17(12-10-14)27-16-7-2-1-3-8-16/h1-3,7-13,15H,4-6H2,(H2,22,23,24)
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n/an/a 201n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98255
PNG
(US8481733, 67)
Show SMILES COc1cc(ccc1-c1nc(C2CCC2)n2ccnc(N)c12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-30-19-14-17(22(29)15-6-3-2-4-7-15)10-11-18(19)20-21-23(25)26-12-13-28(21)24(27-20)16-8-5-9-16/h2-4,6-7,10-14,16H,5,8-9H2,1H3,(H2,25,26)
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n/an/a 203n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98234
PNG
(US8481733, 46)
Show SMILES Nc1nccn2c(nc(-c3ccc(SC4CCCCO4)cc3)c12)C1CCC1
Show InChI InChI=1S/C21H24N4OS/c22-20-19-18(24-21(15-4-3-5-15)25(19)12-11-23-20)14-7-9-16(10-8-14)27-17-6-1-2-13-26-17/h7-12,15,17H,1-6,13H2,(H2,22,23)
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n/an/a 205n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98192
PNG
(US8481733, 3)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(26-23(17-6-4-5-7-17)27(21)15-14-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25)
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n/an/a 212n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98294
PNG
(US8481733, 106)
Show SMILES CC(O)(c1ccccc1)c1ccc(cc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(.63,7.08,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;.23,4.05,;1.32,2.96,;.92,1.48,;-.56,1.08,;-1.65,2.17,;-1.25,3.65,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)|
Show InChI InChI=1S/C25H26N4O2/c1-24(30)14-17(15-24)23-28-20(21-22(26)27-12-13-29(21)23)16-8-10-19(11-9-16)25(2,31)18-6-4-3-5-7-18/h3-13,17,30-31H,14-15H2,1-2H3,(H2,26,27)/t17-,24+,25?
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n/an/a 216n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))		BDBM98461
PNG
(US8481733, 273)
Show SMILES CN(C)CCNC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12 |r,wU:10.13,wD:7.6,(-5.35,-9.57,;-4.26,-8.48,;-4.66,-7,;-2.78,-8.88,;-1.69,-7.79,;-.2,-8.19,;.89,-7.1,;.49,-5.62,;1.58,-4.53,;1.18,-3.04,;-.31,-2.64,;-1.39,-3.73,;-1,-5.22,;-.7,-1.15,;.2,.09,;-.7,1.34,;-.31,2.83,;1.18,3.22,;1.58,4.71,;.49,5.8,;.89,7.29,;2.38,7.69,;3.47,6.6,;4.95,7,;5.35,8.48,;4.26,9.57,;2.78,9.17,;-1,5.4,;-1.39,3.91,;-2.17,.86,;-3.5,1.63,;-3.5,3.17,;-4.84,.86,;-4.84,-.68,;-3.5,-1.45,;-2.17,-.68,)|
Show InChI InChI=1S/C28H35N7O/c1-34(2)17-16-30-18-20-8-10-22(11-9-20)28-33-25(26-27(29)31-19-32-35(26)28)21-12-14-24(15-13-21)36-23-6-4-3-5-7-23/h3-7,12-15,19-20,22,30H,8-11,16-18H2,1-2H3,(H2,29,31,32)/t20-,22-
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US Patent
n/an/a 216n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.

US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%