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Patent code US10654855

Compile Data Set for Download or QSAR
Found 73 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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256830
PNG
(US10654855, Example 6 | US9492453, 6)
Show SMILES C[C@H](NC(=O)C1(CN)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256843
PNG
(US10654855, Example 23 | US9492453, 23)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427336
PNG
(CHEMBL2325992 | US10654855, Example 11 | US9492453...)
Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256844
PNG
(US10654855, Example 24 | US9492453, 24)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Br)cc1
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n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256828
PNG
(US10654855, Example 3A | US9492453, 3A)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256833
PNG
(US10654855, Example 12 | US9492453, 12)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCO)c1ccc(Cl)cc1
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n/an/a 2.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427361
PNG
(CHEMBL2325727 | US10654855, Example 11A | US949245...)
Show SMILES CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427335
PNG
(CHEMBL2325993 | US10654855, Example 25 | US9492453...)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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n/an/a 2.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256835
PNG
(US10654855, Example 14 | US9492453, 14)
Show SMILES NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM443385
PNG
(ALTERNATIVE ROUTE 1: (S)-4-AMINO-N-(1-(4-CHLOROPHE...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256861
PNG
(US10654855, Example 49A | US9492453, 49A)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCN1CCCCC1)c1ccc(Cl)cc1
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n/an/a 3.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256865
PNG
(US10654855, Example 54 | US9492453, 54)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCn1ccnc1)c1ccc(Cl)cc1
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427334
PNG
(CHEMBL2325994 | US10654855, Example 47 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-7-5-19(6-8-20)22(4-3-15-33-13-1-2-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-9-12-29-23(21)30-18-31-24/h5-9,12,18,22H,1-4,10-11,13-17,28H2,(H,32,35)(H,29,30,31)
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n/an/a 3.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427360
PNG
(CHEMBL2325729 | US10654855, Example 52 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427347
PNG
(CHEMBL2325743 | US10654855, Example 2 | US9492453,...)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427331
PNG
(CHEMBL2325728 | US10654855, Example 55 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256852
PNG
(US10654855, Example 35 | US9492453, 35)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]cc(Br)c12)c1ccc(Cl)cc1
PDB

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n/an/a 4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256834
PNG
(US10654855, Example 13 | US9492453, 13)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCO)c1ccc(Cl)cc1
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n/an/a 4.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256832
PNG
(US10654855, Example 10 | US9492453, 10)
Show SMILES CC(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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n/an/a 4.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256862
PNG
(US10654855, Example 50 | US9492453, 50)
Show SMILES CN1CCN(CC[C@H](NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c2ccc(Cl)cc2)CC1
PDB

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n/an/a 4.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256847
PNG
(US10654855, Example 28 | US9492453, 28)
Show SMILES CNCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256831
PNG
(US10654855, Example 7A | US9492453, 7A)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCCO)c1ccc(Cl)cc1
PDB

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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427332
PNG
(CHEMBL2325996 | US10654855, Example 49 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427345
PNG
(CHEMBL2325983 | US10654855, Example 4 | US9492453,...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN6O/c23-16-5-3-15(4-6-16)18(14-1-2-14)28-21(30)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-13-27-20/h3-7,10,13-14,18H,1-2,8-9,11-12,24H2,(H,28,30)(H,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM443415
PNG
(US10654855, Example 38)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CC3)C(=O)N[C@@H](CC(C)(C)O)c3ccc(Cl)cc3)c12
PDB

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AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256845
PNG
(US10654855, Example 26 | US9492453, 26)
Show SMILES CCN(CC)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 5.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427333
PNG
(CHEMBL2325995 | US10654855, Example 48 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O2/c27-20-5-3-19(4-6-20)22(2-1-11-33-14-16-36-17-15-33)32-25(35)26(28)8-12-34(13-9-26)24-21-7-10-29-23(21)30-18-31-24/h3-7,10,18,22H,1-2,8-9,11-17,28H2,(H,32,35)(H,29,30,31)
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n/an/a 5.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427351
PNG
(CHEMBL2325739 | US10654855, Example 7 | US9492453,...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O2/c23-16-5-3-15(4-6-16)18(2-1-13-30)28-21(31)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-14-27-20/h3-7,10,14,18,30H,1-2,8-9,11-13,24H2,(H,28,31)(H,25,26,27)
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n/an/a 6.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256866
PNG
(US10654855, Example 59 | US9492453, 59)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1ncc[nH]1)c1ccc(Cl)cc1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM443431
PNG
(US10654855, Example 53)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CC3)C(=O)N[C@@H](CCN3CCNCC3)c3ccc(Cl)cc3)c12
PDB

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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427355
PNG
(CHEMBL2325734 | US10654855, Example 65 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN7O3S/c22-15-3-1-14(2-4-15)17(6-12-33(24,31)32)28-20(30)21(23)7-10-29(11-8-21)19-16-5-9-25-18(16)26-13-27-19/h1-5,9,13,17H,6-8,10-12,23H2,(H,28,30)(H2,24,31,32)(H,25,26,27)
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n/an/a 6.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256870
PNG
(US10654855, Example 66 | US9492453, 66)
Show SMILES NC(=O)CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 6.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427346
PNG
(CHEMBL2325982 | US10654855, Example 3 | US9492453,...)
Show SMILES CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O/c1-2-17(14-3-5-15(22)6-4-14)27-20(29)21(23)8-11-28(12-9-21)19-16-7-10-24-18(16)25-13-26-19/h3-7,10,13,17H,2,8-9,11-12,23H2,1H3,(H,27,29)(H,24,25,26)
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n/an/a 6.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427353
PNG
(CHEMBL2325736 | US10654855, Example 69 | US9492453...)
Show SMILES CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN7O3S/c1-34(32,33)28-11-7-18(15-2-4-16(23)5-3-15)29-21(31)22(24)8-12-30(13-9-22)20-17-6-10-25-19(17)26-14-27-20/h2-6,10,14,18,28H,7-9,11-13,24H2,1H3,(H,29,31)(H,25,26,27)
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n/an/a 6.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427352
PNG
(CHEMBL2325737 | US10654855, Example 8 | US9492453,...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CO)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O2/c21-14-3-1-13(2-4-14)16(11-28)26-19(29)20(22)6-9-27(10-7-20)18-15-5-8-23-17(15)24-12-25-18/h1-5,8,12,16,28H,6-7,9-11,22H2,(H,26,29)(H,23,24,25)
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n/an/a 7.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256842
PNG
(US10654855, Example 22 | US9492453, 22)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]cnc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 7.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256827
PNG
(US10654855, Example 1 | US9492453, 1)
Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 7.60n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256871
PNG
(US10654855, Example 67 | US9492453, 67)
Show SMILES NC(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 7.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427341
PNG
(CHEMBL2325987 | US10654855, Example 44 | US9492453...)
Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)
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n/an/a 8.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256851
PNG
(US10654855, Example 34 | US9492453, 34)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]cc(Cl)c12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 9.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427350
PNG
(CHEMBL2325740 | US10654855, Example 64 | US9492453...)
Show SMILES COCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O2/c1-31-13-7-18(15-2-4-16(23)5-3-15)28-21(30)22(24)8-11-29(12-9-22)20-17-6-10-25-19(17)26-14-27-20/h2-6,10,14,18H,7-9,11-13,24H2,1H3,(H,28,30)(H,25,26,27)
PDB

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n/an/a 9.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256829
PNG
(US10654855, Example 5 | US9492453, 5)
Show SMILES NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 9.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256863
PNG
(US10654855, Example 51 | US9492453, 51)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCOCC1)c1ccc(Cl)cc1
PDB

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n/an/a 10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256839
PNG
(US10654855, Example 19 | US9492453, 19)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]cc(Br)c12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 11n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256837
PNG
(US10654855, Example 17 | US9492453, 17)
Show SMILES C[C@@H](NC(=O)C1(CN)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
PDB

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n/an/a 12n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256849
PNG
(US10654855, Example 32 | US9492453, 32)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]cc(Cl)c12)c1ccc(Cl)cc1
PDB

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n/an/a 12n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256872
PNG
(US10654855, Example 68 | US9492453, 68)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CC#N)c1ccc(Cl)cc1
PDB

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n/an/a 12n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427356
PNG
(CHEMBL2325733 | US10654855, Example 57 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256850
PNG
(US10654855, Example 33 | US9492453, 33)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]nc(Br)c12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 14n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256853
PNG
(US10654855, Example 36 | US9492453, 36)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CC3)C(=O)N[C@@H](CCO)c3ccc(Cl)cc3)c12
PDB

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n/an/a 14n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256838
PNG
(US10654855, Example 18 | US9492453, 18)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(cc1)C#N
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256846
PNG
(US10654855, Example 27 | US9492453, 27)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]cc(C3CC3)c12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 16n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256858
PNG
(US10654855, Example 41 | US9492453, 41)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C(F)(F)F
PDB

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n/an/a 16n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427354
PNG
(CHEMBL2325735 | US10654855, Example 56 | US9492453...)
Show SMILES CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN7O3S/c1-33(31,32)27-12-17(14-2-4-15(22)5-3-14)28-20(30)21(23)7-10-29(11-8-21)19-16-6-9-24-18(16)25-13-26-19/h2-6,9,13,17,27H,7-8,10-12,23H2,1H3,(H,28,30)(H,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256854
PNG
(US10654855, Example 37 | US9492453, 37)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]cc(C)c12)c1ccc(Cl)cc1
PDB

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n/an/a 19n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256840
PNG
(US10654855, Example 20 | US9492453, 20)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ncc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256867
PNG
(US10654855, Example 60 | US9492453, 60)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cn1cccn1)c1ccc(Cl)cc1
PDB

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n/an/a 23n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256868
PNG
(US10654855, Example 61 | US9492453, 61)
Show SMILES Cc1cc(CC(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c2ccc(Cl)cc2)on1
PDB

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n/an/a 23n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256848
PNG
(US10654855, Example 31 | US9492453, 31)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]nc(Br)c12)c1ccc(Cl)cc1
PDB

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n/an/a 24n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256869
PNG
(US10654855, Example 62 | US9492453, 62)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1nccs1)c1ccc(Cl)cc1
PDB

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n/an/a 28n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427359
PNG
(CHEMBL2325730 | US10654855, Example 30 | US9492453...)
Show SMILES NC(=O)C(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN7O2/c21-13-3-1-12(2-4-13)15(16(22)29)27-19(30)20(23)6-9-28(10-7-20)18-14-5-8-24-17(14)25-11-26-18/h1-5,8,11,15H,6-7,9-10,23H2,(H2,22,29)(H,27,30)(H,24,25,26)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427343
PNG
(CHEMBL2325985 | US10654855, Example 43 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN6O/c27-20-8-6-19(7-9-20)22(16-18-4-2-1-3-5-18)32-25(34)26(28)11-14-33(15-12-26)24-21-10-13-29-23(21)30-17-31-24/h1-10,13,17,22H,11-12,14-16,28H2,(H,32,34)(H,29,30,31)
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427357
PNG
(CHEMBL2325732 | US10654855, Example 58 | US9492453...)
Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256859
PNG
(US10654855, Example 42 | US9492453, 42)
Show SMILES C[C@@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Br)cc1
PDB

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n/an/a 32n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256857
PNG
(US10654855, Example 40 | US9492453, 40)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1cccc(Cl)c1
PDB

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n/an/a 32n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427344
PNG
(CHEMBL2325984 | US10654855, Example 29 | US9492453...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN6O/c26-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)31-24(33)25(27)11-14-32(15-12-25)23-20-10-13-28-22(20)29-16-30-23/h1-10,13,16,21H,11-12,14-15,27H2,(H,31,33)(H,28,29,30)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427358
PNG
(CHEMBL2325731 | US10654855, Example 63 | US9492453...)
Show SMILES CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClN7O2/c1-30(2)19(32)13-18(15-3-5-16(24)6-4-15)29-22(33)23(25)8-11-31(12-9-23)21-17-7-10-26-20(17)27-14-28-21/h3-7,10,14,18H,8-9,11-13,25H2,1-2H3,(H,29,33)(H,26,27,28)
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256856
PNG
(US10654855, Example 39 | US9492453, 39)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
PDB

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n/an/a 50n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256841
PNG
(US10654855, Example 21 | US9492453, 21)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccccc1
PDB

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n/an/a 59n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256836
PNG
(BDBM50427349 | US10654855, Example 15 | US9492453,...)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
PDB

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n/an/a 93n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427342
PNG
(CHEMBL2325986 | US10654855, Example 46 | US9492453...)
Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H24N6O/c1-14(15-5-3-2-4-6-15)25-19(27)20(21)8-11-26(12-9-20)18-16-7-10-22-17(16)23-13-24-18/h2-7,10,13-14H,8-9,11-12,21H2,1H3,(H,25,27)(H,22,23,24)
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n/an/a 150n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM256860
PNG
(US10654855, Example 45 | US9492453, 45)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C#N)c1ccc(Cl)cc1
PDB

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n/an/a 230n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427348
PNG
(CHEMBL2325742 | US10654855, Example 16 | US9492453...)
Show SMILES C[C@@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...


US Patent US10654855 (2020)

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