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USPatent US9896458

Compile Data Set for Download or QSAR

Found 251 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
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356264
PNG
(US10604535, Example 30 | US9815850, Compound 30 | ...)
Show SMILES O=C(N[C@H]1CCc2ccccc2-n2ccnc12)c1cc(Cc2ccccc2)on1 |r|
Show InChI InChI=1S/C23H20N4O2/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27/h1-9,12-13,15,19H,10-11,14H2,(H,25,28)/t19-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356268
PNG
(US10604535, Example 38A | US9815850, Compound 38A ...)
Show SMILES CN1c2nc(C)sc2CC[C@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)C1=O |r|
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University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356281
PNG
(US10604535, Example 52 | US9815850, Compound 52 | ...)
Show SMILES O=C(N[C@H]1CCc2ccccc2-n2ccnc12)c1nnc(Cc2ccccc2)[nH]1 |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM373567
PNG
(US10604535, Example 70A | US9896458, No. 70A)
Show SMILES O=C(N[C@H]1COc2ccccc2-n2ccnc12)c1cc(Cc2ccccc2)on1 |r|
Show InChI InChI=1S/C22H18N4O3/c27-22(17-13-16(29-25-17)12-15-6-2-1-3-7-15)24-18-14-28-20-9-5-4-8-19(20)26-11-10-23-21(18)26/h1-11,13,18H,12,14H2,(H,24,27)/t18-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356307
PNG
(US10604535, Example 72 | US9815850, Compound 72 | ...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc([nH]n2)C2(CC2)c2ccccc2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM373573
PNG
(US10604535, Example 74 | US9896458, No. 74)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3ccccn3)cc2F)C1=O |r|
Show InChI InChI=1S/C19H17FN6O3/c1-25-17-15(6-4-8-22-17)29-11-14(19(25)28)23-18(27)16-13(20)10-26(24-16)9-12-5-2-3-7-21-12/h2-8,10,14H,9,11H2,1H3,(H,23,27)/t14-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356318
PNG
(US10604535, Example 81A | US9815850, Compound 81A ...)
Show SMILES CN1c2ncccc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1S/C22H20N4O3/c1-26-20-15(8-5-9-23-20)16-12-17(16)19(22(26)28)24-21(27)18-11-14(29-25-18)10-13-6-3-2-4-7-13/h2-9,11,16-17,19H,10,12H2,1H3,(H,24,27)/t16-,17-,19-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356324
PNG
(US10604535, Example 84 | US9815850, Compound 84 | ...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nc3cccc(-c4ccccc4)c3s2)C1=O |r|
Show InChI InChI=1S/C24H19N3O3S/c1-27-19-12-5-6-13-20(19)30-14-18(24(27)29)25-22(28)23-26-17-11-7-10-16(21(17)31-23)15-8-3-2-4-9-15/h2-13,18H,14H2,1H3,(H,25,28)/t18-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356345
PNG
(US10604535, Example 101B | US9815850, Compound 101...)
Show SMILES CN1c2cnn(C)c2CC[C@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM373630
PNG
(US10604535, Example 114A | US9896458, No. 114A)
Show SMILES CN1c2cnn(C)c2CC[C@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H21FN6O2/c1-25-17-10-22-26(2)16(17)9-8-15(20(25)29)23-19(28)18-14(21)12-27(24-18)11-13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,23,28)/t15-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356384
PNG
(US9815850, Compound 126 | US9896458, No. 126)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nc(F)c(Cc3ccccc3)s2)C1=O |r|
Show InChI InChI=1S/C20H17FN4O3S/c1-25-17-14(8-5-9-22-17)28-11-13(20(25)27)23-18(26)19-24-16(21)15(29-19)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,23,26)/t13-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356408
PNG
(US11584758, Compound I-2 | US9815850, Compound 146...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r|
Show InChI InChI=1S/C19H17N5O4/c1-24-16-14(8-5-9-20-16)27-11-13(19(24)26)21-17(25)18-23-22-15(28-18)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,21,25)/t13-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356413
PNG
(US10604535, Example 150 | US9815850, Compound 150 ...)
Show SMILES C[C@H]1Oc2cc(cnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(Cc2ccccc2)[nH]1)C#N |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356420
PNG
(US10604535, Example 155 | US9815850, Compound 155 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1ccn(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C21H21N5O3/c1-14-18(21(28)25(2)19-17(29-14)9-6-11-22-19)23-20(27)16-10-12-26(24-16)13-15-7-4-3-5-8-15/h3-12,14,18H,13H2,1-2H3,(H,23,27)/t14-,18+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356429
PNG
(US10604535, Example 161 | US9815850, Compound 161 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nnc(Cc3cccc(c3)C#N)[nH]2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356434
PNG
(US10604535, Example 166 | US9815850, Compound 166 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2cc(F)n(Cc3ccc(F)cc3)n2)C1=O |r|
Show InChI InChI=1S/C20H17F2N5O3/c1-26-18-16(3-2-8-23-18)30-11-15(20(26)29)24-19(28)14-9-17(22)27(25-14)10-12-4-6-13(21)7-5-12/h2-9,15H,10-11H2,1H3,(H,24,28)/t15-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356441
PNG
(US10604535, Example 172 | US9815850, Compound 172 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1ncn(Cc2cccc(c2)C#N)n1 |r|
Show InChI InChI=1S/C21H19N7O3/c1-13-17(21(30)27(2)19-16(31-13)7-4-8-23-19)25-20(29)18-24-12-28(26-18)11-15-6-3-5-14(9-15)10-22/h3-9,12-13,17H,11H2,1-2H3,(H,25,29)/t13-,17+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356296
PNG
(US10604535, Example 173 | US9815850, Compound 173 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nnc(o2)C2(CC2)c2ccccc2)C1=O |r|
Show InChI InChI=1S/C21H19N5O4/c1-26-16-15(8-5-11-22-16)29-12-14(19(26)28)23-17(27)18-24-25-20(30-18)21(9-10-21)13-6-3-2-4-7-13/h2-8,11,14H,9-10,12H2,1H3,(H,23,27)/t14-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356312
PNG
(US10604535, Example 175 | US9815850, Compound 175 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H18FN5O3/c1-25-18-16(8-5-9-22-18)29-12-15(20(25)28)23-19(27)17-14(21)11-26(24-17)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,23,27)/t15-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356455
PNG
(US10604535, Example 181B | US9815850, Compound 181...)
Show SMILES Fc1cc(F)c2NC(=O)[C@@H](NC(=O)c3nnc(Cc4cccc(c4)C#N)[nH]3)[C@H]3C[C@H]3c2c1 |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356461
PNG
(US10604535, Example 188 | US9815850, Compound 188 ...)
Show SMILES CN1c2nccnc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1S/C20H19N5O3/c1-25-18-15(21-9-10-22-18)7-8-16(20(25)27)23-19(26)17-12-14(28-24-17)11-13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,26)/t16-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356462
PNG
(US10604535, Example 190 | US9815850, Compound 190 ...)
Show SMILES CN1c2nccnc2CC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r|
Show InChI InChI=1S/C19H18N6O3/c1-25-16-13(20-9-10-21-16)7-8-14(19(25)27)22-17(26)18-24-23-15(28-18)11-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3,(H,22,26)/t14-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356467
PNG
(US10604535, Example 197 | US9815850, Compound 197 ...)
Show SMILES CN1c2nccnc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r|
Show InChI InChI=1S/C21H19N5O3/c1-26-19-17(22-7-8-23-19)14-11-15(14)18(21(26)28)24-20(27)16-10-13(29-25-16)9-12-5-3-2-4-6-12/h2-8,10,14-15,18H,9,11H2,1H3,(H,24,27)/t14-,15+,18+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356479
PNG
(US10604535, Example 214 | US9815850, Compound 214 ...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nn(Cc3ccc(F)cn3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H17F2N5O3/c1-26-16-4-2-3-5-17(16)30-11-15(20(26)29)24-19(28)18-14(22)10-27(25-18)9-13-7-6-12(21)8-23-13/h2-8,10,15H,9,11H2,1H3,(H,24,28)/t15-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356482
PNG
(US10604535, Example 217 | US9815850, Compound 217 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C20H19N5O3S/c1-12-16(20(27)25(2)17-14(28-12)9-6-10-21-17)22-18(26)19-24-23-15(29-19)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,22,26)/t12-,16+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356486
PNG
(US10604535, Example 221 | US9815850, Compound 221 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(o1)C(F)(F)c1ccccc1 |r|
Show InChI InChI=1S/C20H17F2N5O4/c1-11-14(18(29)27(2)15-13(30-11)9-6-10-23-15)24-16(28)17-25-26-19(31-17)20(21,22)12-7-4-3-5-8-12/h3-11,14H,1-2H3,(H,24,28)/t11-,14+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356489
PNG
(US10604535, Example 224 | US9815850, Compound 224 ...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nn(Cc3ncccn3)cc2F)C1=O |r|
Show InChI InChI=1S/C19H17FN6O3/c1-25-14-5-2-3-6-15(14)29-11-13(19(25)28)23-18(27)17-12(20)9-26(24-17)10-16-21-7-4-8-22-16/h2-9,13H,10-11H2,1H3,(H,23,27)/t13-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356490
PNG
(US10604535, Example 225 | US9815850, Compound 225 ...)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r|
Show InChI InChI=1S/C21H20N4O3/c1-25-17-10-6-5-9-15(17)11-12-16(21(25)27)22-19(26)20-24-23-18(28-20)13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H,22,26)/t16-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356234
PNG
(US10604535, Example 4 | US9815850, Compound 4 | US...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nn(Cc3ccccc3)c(C)c2Cl)C1=O |r|
Show InChI InChI=1S/C22H21ClN4O3/c1-14-19(23)20(25-27(14)12-15-8-4-3-5-9-15)21(28)24-16-13-30-18-11-7-6-10-17(18)26(2)22(16)29/h3-11,16H,12-13H2,1-2H3,(H,24,28)/t16-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356236
PNG
(US10604535, Example 6 | US9815850, Compound 6 | US...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nn(Cc3ccccc3)c(C)c2F)C1=O |r|
Show InChI InChI=1S/C22H21FN4O3/c1-14-19(23)20(25-27(14)12-15-8-4-3-5-9-15)21(28)24-16-13-30-18-11-7-6-10-17(18)26(2)22(16)29/h3-11,16H,12-13H2,1-2H3,(H,24,28)/t16-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356246
PNG
(US10604535, Example 12A | US9815850, Compound 12 |...)
Show SMILES CN1c2ccccc2[C@@H](F)C[C@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356270
PNG
(US10604535, Example 41 | US9815850, Compound 41 | ...)
Show SMILES CN1c2ccncc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356274
PNG
(US10604535, Example 45 | US9815850, Compound 45 | ...)
Show SMILES Cc1c(F)c(nn1Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2NC1=O |r|
Show InChI InChI=1S/C21H19FN4O3/c1-13-18(22)19(25-26(13)11-14-7-3-2-4-8-14)21(28)24-16-12-29-17-10-6-5-9-15(17)23-20(16)27/h2-10,16H,11-12H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356288
PNG
(US10604535, Example 59 | US9815850, Compound 59 | ...)
Show SMILES CN1c2ccccc2C2(CC2)C[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356289
PNG
(US10604535, Example 60A | US9815850, Compound 60A ...)
Show SMILES CN1c2ccccc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356291
PNG
(US10604535, Example 61 | US9815850, Compound 61 | ...)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2coc(n2)C2(CC2)c2ccccc2)C1=O |r|
Show InChI InChI=1S/C23H21N3O4/c1-26-18-9-5-6-10-19(18)29-14-17(21(26)28)24-20(27)16-13-30-22(25-16)23(11-12-23)15-7-3-2-4-8-15/h2-10,13,17H,11-12,14H2,1H3,(H,24,27)/t17-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356297
PNG
(US10604535, Example 67A | US9815850, Compound 67A ...)
Show SMILES CN1c2ccccc2[C@H]2C[C@H]2[C@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)C1=O |r|
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356342
PNG
(US10604535, Example 100A | US9815850, Compound 100...)
Show SMILES CN1c2ncccc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2cc(Oc3ccccc3F)ccn2)C1=O |r|
Show InChI InChI=1S/C23H19FN4O3/c1-28-21-14(5-4-9-26-21)15-12-16(15)20(23(28)30)27-22(29)18-11-13(8-10-25-18)31-19-7-3-2-6-17(19)24/h2-11,15-16,20H,12H2,1H3,(H,27,29)/t15-,16-,20-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356343
PNG
(US10604535, Example 100B | US9815850, Compound 100...)
Show SMILES CN1c2ncccc2[C@H]2C[C@H]2[C@@H](NC(=O)c2cc(Oc3ccccc3F)ccn2)C1=O |r|
Show InChI InChI=1S/C23H19FN4O3/c1-28-21-14(5-4-9-26-21)15-12-16(15)20(23(28)30)27-22(29)18-11-13(8-10-25-18)31-19-7-3-2-6-17(19)24/h2-11,15-16,20H,12H2,1H3,(H,27,29)/t15-,16-,20-/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356368
PNG
(US10604535, Example 115 | US9815850, Compound 115 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nn(Cc3ccc(F)cc3)cc2F)C1=O |r|
Show InChI InChI=1S/C20H17F2N5O3/c1-26-18-16(3-2-8-23-18)30-11-15(20(26)29)24-19(28)17-14(22)10-27(25-17)9-12-4-6-13(21)7-5-12/h2-8,10,15H,9,11H2,1H3,(H,24,28)/t15-/m0/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356379
PNG
(US10604535, Example 122 | US9815850, Compound 122 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Cc2ccccc2)no1 |r|
Show InChI InChI=1S/C21H20N4O4/c1-13-18(21(27)25(2)19-16(28-13)9-6-10-22-19)23-20(26)17-12-15(24-29-17)11-14-7-4-3-5-8-14/h3-10,12-13,18H,11H2,1-2H3,(H,23,26)/t13-,18+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356386
PNG
(US10604535, Example 128 | US9815850, Compound 128 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2cccc(c2)C#N)cc1F |r|
Show InChI InChI=1S/C22H19FN6O3/c1-13-18(22(31)28(2)20-17(32-13)7-4-8-25-20)26-21(30)19-16(23)12-29(27-19)11-15-6-3-5-14(9-15)10-24/h3-9,12-13,18H,11H2,1-2H3,(H,26,30)/t13-,18+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356392
PNG
(US10604535, Example 132 | US9815850, Compound 132 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2ccccc2)cc1Cl |r|
Show InChI InChI=1S/C21H20ClN5O3/c1-13-17(21(29)26(2)19-16(30-13)9-6-10-23-19)24-20(28)18-15(22)12-27(25-18)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,24,28)/t13-,17+/m1/s1
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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356394
PNG
(US10604535, Example 174 | US9815850, Compound 134 ...)
Show SMILES C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(Cc2ccccc2)o1 |r|
Show InChI InChI=1S/C20H19N5O4/c1-12-16(20(27)25(2)17-14(28-12)9-6-10-21-17)22-18(26)19-24-23-15(29-19)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,22,26)/t12-,16+/m1/s1
PDB

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Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356409
PNG
(US10604535, Example 147 | US9815850, Compound 147 ...)
Show SMILES C[C@H]1Oc2cc(cnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(Cc2ccccc2)[nH]1)S(C)(=O)=O |r|
PDB

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University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356430
PNG
(US10604535, Example 162 | US9815850, Compound 162 ...)
Show SMILES CN1c2ncccc2OC[C@H](NC(=O)c2nnc(Cc3cc(F)cc(c3)C#N)[nH]2)C1=O |r|
PDB

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University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356450
PNG
(US10604535, Example 179A | US9815850, Compound 179...)
Show SMILES CN1c2nccnc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2nn(Cc3ccccc3F)cc2F)C1=O |r|
Show InChI InChI=1S/C21H18F2N6O2/c1-28-19-16(24-6-7-25-19)12-8-13(12)17(21(28)31)26-20(30)18-15(23)10-29(27-18)9-11-4-2-3-5-14(11)22/h2-7,10,12-13,17H,8-9H2,1H3,(H,26,30)/t12-,13+,17+/m1/s1
PDB

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University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356452
PNG
(US10604535, Example 180A | US9815850, Compound 180...)
Show SMILES CN1c2nccnc2CC[C@H](NC(=O)c2nnc(o2)C2(CC2)c2ccccc2)C1=O |r|
Show InChI InChI=1S/C21H20N6O3/c1-27-16-14(22-11-12-23-16)7-8-15(19(27)29)24-17(28)18-25-26-20(30-18)21(9-10-21)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,24,28)/t15-/m0/s1
PDB

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University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356459
PNG
(US10604535, Example 183B | US9815850, Compound 183...)
Show SMILES CN1c2ccc(cc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H23FN4O4S/c1-28-20-9-8-15(34(2,32)33)10-17(20)16-11-18(16)21(24(28)31)26-23(30)22-19(25)13-29(27-22)12-14-6-4-3-5-7-14/h3-10,13,16,18,21H,11-12H2,1-2H3,(H,26,30)/t16-,18-,21-/m0/s1
PDB

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University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM356468
PNG
(US10604535, Example 198 | US9815850, Compound 198 ...)
Show SMILES CN1c2nccnc2[C@@H]2C[C@@H]2[C@H](NC(=O)c2nnc(Cc3ccccc3)s2)C1=O |r|
Show InChI InChI=1S/C20H18N6O2S/c1-26-17-15(21-7-8-22-17)12-10-13(12)16(20(26)28)23-18(27)19-25-24-14(29-19)9-11-5-3-2-4-6-11/h2-8,12-13,16H,9-10H2,1H3,(H,23,27)/t12-,13+,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 500n/an/an/an/an/an/a



University of Mississippi



Assay Description
Test compounds were diluted in DMSO and 0.1 μL of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was...

J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2XW4N44
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%