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Patent code US8871778

Compile Data Set for Download or QSAR
Found 44 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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138211
PNG
(US8871778, 190)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)cc(C(=O)C4CC4)c3c2)n1 |r|
Show InChI InChI=1S/C26H29N7O2/c1-16-18(12-32-10-8-20(34)14-32)13-33(30-16)24-7-9-27-26(29-24)28-19-5-6-23-21(11-19)22(15-31(23)2)25(35)17-3-4-17/h5-7,9,11,13,15,17,20,34H,3-4,8,10,12,14H2,1-2H3,(H,27,28,29)/t20-/m1/s1
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n/an/a 0.100n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138212
PNG
(US8871778, 198)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1cccc(Nc2ccc3n(C)cc(C(=O)C(F)(F)F)c3c2)n1 |r|
Show InChI InChI=1S/C25H25F3N6O2/c1-15-16(11-33-9-8-18(35)13-33)12-34(31-15)23-5-3-4-22(30-23)29-17-6-7-21-19(10-17)20(14-32(21)2)24(36)25(26,27)28/h3-7,10,12,14,18,35H,8-9,11,13H2,1-2H3,(H,29,30)/t18-/m1/s1
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n/an/a 0.100n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138217
PNG
(US8871778, 251)
Show SMILES CO[C@@H]1CN(Cc2cn(nc2C)-c2ccnc(Nc3ccc4n(C)c(C)c(Cl)c4c3)n2)C[C@@H]1O |r|
Show InChI InChI=1S/C24H28ClN7O2/c1-14-16(10-31-12-20(33)21(13-31)34-4)11-32(29-14)22-7-8-26-24(28-22)27-17-5-6-19-18(9-17)23(25)15(2)30(19)3/h5-9,11,20-21,33H,10,12-13H2,1-4H3,(H,26,27,28)/t20-,21+/m0/s1
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n/an/a 0.600n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138219
PNG
(US8871778, 255)
Show SMILES Cc1nn(cc1CN1C[C@H](O)[C@H](O)C1)-c1ccnc(Nc2ccc3n(C)nc(c3c2)S(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C22H26N8O4S/c1-13-14(9-29-11-18(31)19(32)12-29)10-30(26-13)20-6-7-23-22(25-20)24-15-4-5-17-16(8-15)21(27-28(17)2)35(3,33)34/h4-8,10,18-19,31-32H,9,11-12H2,1-3H3,(H,23,24,25)/t18-,19+
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n/an/a 0.700n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138210
PNG
(US8871778, 189)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C23H26ClN7O/c1-14-16(11-30-9-7-18(32)13-30)12-31(28-14)21-6-8-25-23(27-21)26-17-4-5-20-19(10-17)22(24)15(2)29(20)3/h4-6,8,10,12,18,32H,7,9,11,13H2,1-3H3,(H,25,26,27)/t18-/m1/s1
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n/an/a 1n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138200
PNG
(US8871778, 141)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1
Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26)
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n/an/a 1n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138207
PNG
(US8871778, 176)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1nc(Nc2ccc3n(C)c(C)c(Cl)c3c2)ncc1F
Show InChI InChI=1S/C22H23ClFN7O/c1-12-14(8-30-10-16(32)11-30)9-31(28-12)21-18(24)7-25-22(27-21)26-15-4-5-19-17(6-15)20(23)13(2)29(19)3/h4-7,9,16,32H,8,10-11H2,1-3H3,(H,25,26,27)
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n/an/a 1n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138220
PNG
(US8871778, 258)
Show SMILES CCCn1c(C)c(Cl)c2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)ccc12
Show InChI InChI=1S/C24H28ClN7O/c1-4-9-31-16(3)23(25)20-10-18(5-6-21(20)31)27-24-26-8-7-22(28-24)32-12-17(15(2)29-32)11-30-13-19(33)14-30/h5-8,10,12,19,33H,4,9,11,13-14H2,1-3H3,(H,26,27,28)
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n/an/a 1.20n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138213
PNG
(US8871778, 201)
Show SMILES CC(=O)c1c[nH]c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12
Show InChI InChI=1S/C22H23N7O2/c1-13-15(9-28-11-17(31)12-28)10-29(27-13)21-5-6-23-22(26-21)25-16-3-4-20-18(7-16)19(8-24-20)14(2)30/h3-8,10,17,24,31H,9,11-12H2,1-2H3,(H,23,25,26)
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n/an/a 1.30n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138202
PNG
(US8871778, 152)
Show SMILES CC(=O)c1cn(C)c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12
Show InChI InChI=1S/C23H25N7O2/c1-14-16(9-29-11-18(32)12-29)10-30(27-14)22-6-7-24-23(26-22)25-17-4-5-21-19(8-17)20(15(2)31)13-28(21)3/h4-8,10,13,18,32H,9,11-12H2,1-3H3,(H,24,25,26)
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Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138209
PNG
(US8871778, 182)
Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1nc(Nc2ccc3n(C)nc(Cl)c3c2)ncc1F
Show InChI InChI=1S/C21H21ClFN7O/c1-12-7-30(9-13(12)8-29-10-15(31)11-29)20-17(23)6-24-21(26-20)25-14-3-4-18-16(5-14)19(22)27-28(18)2/h3-7,9,15,31H,8,10-11H2,1-2H3,(H,24,25,26)
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n/an/a 1.5n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138201
PNG
(US8871778, 144)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)cc(Cl)c3c2)n1
Show InChI InChI=1S/C21H22ClN7O/c1-13-14(8-28-10-16(30)11-28)9-29(26-13)20-5-6-23-21(25-20)24-15-3-4-19-17(7-15)18(22)12-27(19)2/h3-7,9,12,16,30H,8,10-11H2,1-2H3,(H,23,24,25)
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n/an/a 1.80n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138208
PNG
(US8871778, 180)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)cc(-c4nccs4)c3c2)n1
Show InChI InChI=1S/C24H24N8OS/c1-15-16(10-31-12-18(33)13-31)11-32(29-15)22-5-6-26-24(28-22)27-17-3-4-21-19(9-17)20(14-30(21)2)23-25-7-8-34-23/h3-9,11,14,18,33H,10,12-13H2,1-2H3,(H,26,27,28)
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n/an/a 2.10n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138215
PNG
(US8871778, 235)
Show SMILES COC[C@@H]1C[C@@H](O)CN1Cc1cn(nc1C)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C25H30ClN7O2/c1-15-17(11-32-13-20(34)10-19(32)14-35-4)12-33(30-15)23-7-8-27-25(29-23)28-18-5-6-22-21(9-18)24(26)16(2)31(22)3/h5-9,12,19-20,34H,10-11,13-14H2,1-4H3,(H,27,28,29)/t19-,20+/m0/s1
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n/an/a 6.60n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138218
PNG
(US8871778, 254)
Show SMILES C[C@@H]1C[C@@H](O)CN1Cc1cn(nc1C)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C24H28ClN7O/c1-14-9-19(33)13-31(14)11-17-12-32(29-15(17)2)22-7-8-26-24(28-22)27-18-5-6-21-20(10-18)23(25)16(3)30(21)4/h5-8,10,12,14,19,33H,9,11,13H2,1-4H3,(H,26,27,28)/t14-,19-/m1/s1
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n/an/a 10n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138204
PNG
(US8871778, 161)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)nc(Cl)c3c2)n1
Show InChI InChI=1S/C20H21ClN8O/c1-12-13(8-28-10-15(30)11-28)9-29(25-12)18-5-6-22-20(24-18)23-14-3-4-17-16(7-14)19(21)26-27(17)2/h3-7,9,15,30H,8,10-11H2,1-2H3,(H,22,23,24)
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n/an/a 11.1n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138205
PNG
(US8871778, 163)
Show SMILES CC(C)n1nc(Cl)c2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)ccc12
Show InChI InChI=1S/C22H25ClN8O/c1-13(2)31-19-5-4-16(8-18(19)21(23)28-31)25-22-24-7-6-20(26-22)30-10-15(14(3)27-30)9-29-11-17(32)12-29/h4-8,10,13,17,32H,9,11-12H2,1-3H3,(H,24,25,26)
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n/an/a 12.6n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138214
PNG
(US8871778, 231)
Show SMILES Cc1nn(cc1CN1C[C@H](O)C[C@H]1C(O)=O)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C24H26ClN7O3/c1-13-15(10-31-12-17(33)9-20(31)23(34)35)11-32(29-13)21-6-7-26-24(28-21)27-16-4-5-19-18(8-16)22(25)14(2)30(19)3/h4-8,11,17,20,33H,9-10,12H2,1-3H3,(H,34,35)(H,26,27,28)/t17-,20+/m1/s1
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US Patent
n/an/a 13n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138203
PNG
(US8871778, 160)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)ncc3c2)n1
Show InChI InChI=1S/C20H22N8O/c1-13-15(9-27-11-17(29)12-27)10-28(25-13)19-5-6-21-20(24-19)23-16-3-4-18-14(7-16)8-22-26(18)2/h3-8,10,17,29H,9,11-12H2,1-2H3,(H,21,23,24)
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n/an/a 15.2n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138216
PNG
(US8871778, 240)
Show SMILES Cc1nn(cc1CCN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C24H28ClN7O/c1-15-17(7-10-31-11-8-19(33)14-31)13-32(29-15)22-6-9-26-24(28-22)27-18-4-5-21-20(12-18)23(25)16(2)30(21)3/h4-6,9,12-13,19,33H,7-8,10-11,14H2,1-3H3,(H,26,27,28)/t19-/m1/s1
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n/an/a 17.5n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138206
PNG
(US8871778, 173)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3oc(C)c(Cl)c3c2)n1
Show InChI InChI=1S/C21H21ClN6O2/c1-12-14(8-27-10-16(29)11-27)9-28(26-12)19-5-6-23-21(25-19)24-15-3-4-18-17(7-15)20(22)13(2)30-18/h3-7,9,16,29H,8,10-11H2,1-2H3,(H,23,24,25)
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n/an/a 24.3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138209
PNG
(US8871778, 182)
Show SMILES Cc1cn(cc1CN1CC(O)C1)-c1nc(Nc2ccc3n(C)nc(Cl)c3c2)ncc1F
Show InChI InChI=1S/C21H21ClFN7O/c1-12-7-30(9-13(12)8-29-10-15(31)11-29)20-17(23)6-24-21(26-20)25-14-3-4-18-16(5-14)19(22)27-28(18)2/h3-7,9,15,31H,8,10-11H2,1-2H3,(H,24,25,26)
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n/an/a 150n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM138221
PNG
(US8871778, 52)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)ccc3c2)n1
Show InChI InChI=1S/C21H23N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-9,11,18,29H,10,12-13H2,1-2H3,(H,22,23,24)
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n/an/a 190n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138200
PNG
(US8871778, 141)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1
Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26)
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n/an/a 192n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138208
PNG
(US8871778, 180)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)cc(-c4nccs4)c3c2)n1
Show InChI InChI=1S/C24H24N8OS/c1-15-16(10-31-12-18(33)13-31)11-32(29-15)22-5-6-26-24(28-22)27-17-3-4-21-19(9-17)20(14-30(21)2)23-25-7-8-34-23/h3-9,11,14,18,33H,10,12-13H2,1-2H3,(H,26,27,28)
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n/an/a 290n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138202
PNG
(US8871778, 152)
Show SMILES CC(=O)c1cn(C)c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12
Show InChI InChI=1S/C23H25N7O2/c1-14-16(9-29-11-18(32)12-29)10-30(27-14)22-6-7-24-23(26-22)25-17-4-5-21-19(8-17)20(15(2)31)13-28(21)3/h4-8,10,13,18,32H,9,11-12H2,1-3H3,(H,24,25,26)
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n/an/a 346n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138201
PNG
(US8871778, 144)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)cc(Cl)c3c2)n1
Show InChI InChI=1S/C21H22ClN7O/c1-13-14(8-28-10-16(30)11-28)9-29(26-13)20-5-6-23-21(25-20)24-15-3-4-19-17(7-15)18(22)12-27(19)2/h3-7,9,12,16,30H,8,10-11H2,1-2H3,(H,23,24,25)
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n/an/a 357n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138211
PNG
(US8871778, 190)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)cc(C(=O)C4CC4)c3c2)n1 |r|
Show InChI InChI=1S/C26H29N7O2/c1-16-18(12-32-10-8-20(34)14-32)13-33(30-16)24-7-9-27-26(29-24)28-19-5-6-23-21(11-19)22(15-31(23)2)25(35)17-3-4-17/h5-7,9,11,13,15,17,20,34H,3-4,8,10,12,14H2,1-2H3,(H,27,28,29)/t20-/m1/s1
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n/an/a 483n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138220
PNG
(US8871778, 258)
Show SMILES CCCn1c(C)c(Cl)c2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)ccc12
Show InChI InChI=1S/C24H28ClN7O/c1-4-9-31-16(3)23(25)20-10-18(5-6-21(20)31)27-24-26-8-7-22(28-24)32-12-17(15(2)29-32)11-30-13-19(33)14-30/h5-8,10,12,19,33H,4,9,11,13-14H2,1-3H3,(H,26,27,28)
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n/an/a 486n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138212
PNG
(US8871778, 198)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1cccc(Nc2ccc3n(C)cc(C(=O)C(F)(F)F)c3c2)n1 |r|
Show InChI InChI=1S/C25H25F3N6O2/c1-15-16(11-33-9-8-18(35)13-33)12-34(31-15)23-5-3-4-22(30-23)29-17-6-7-21-19(10-17)20(14-32(21)2)24(36)25(26,27)28/h3-7,10,12,14,18,35H,8-9,11,13H2,1-2H3,(H,29,30)/t18-/m1/s1
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n/an/a 502n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138213
PNG
(US8871778, 201)
Show SMILES CC(=O)c1c[nH]c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12
Show InChI InChI=1S/C22H23N7O2/c1-13-15(9-28-11-17(31)12-28)10-29(27-13)21-5-6-23-22(26-21)25-16-3-4-20-18(7-16)19(8-24-20)14(2)30/h3-8,10,17,24,31H,9,11-12H2,1-2H3,(H,23,25,26)
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n/an/a 581n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138219
PNG
(US8871778, 255)
Show SMILES Cc1nn(cc1CN1C[C@H](O)[C@H](O)C1)-c1ccnc(Nc2ccc3n(C)nc(c3c2)S(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C22H26N8O4S/c1-13-14(9-29-11-18(31)19(32)12-29)10-30(26-13)20-6-7-23-22(25-20)24-15-4-5-17-16(8-15)21(27-28(17)2)35(3,33)34/h4-8,10,18-19,31-32H,9,11-12H2,1-3H3,(H,23,24,25)/t18-,19+
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n/an/a 647n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138217
PNG
(US8871778, 251)
Show SMILES CO[C@@H]1CN(Cc2cn(nc2C)-c2ccnc(Nc3ccc4n(C)c(C)c(Cl)c4c3)n2)C[C@@H]1O |r|
Show InChI InChI=1S/C24H28ClN7O2/c1-14-16(10-31-12-20(33)21(13-31)34-4)11-32(29-14)22-7-8-26-24(28-22)27-17-5-6-19-18(9-17)23(25)15(2)30(19)3/h5-9,11,20-21,33H,10,12-13H2,1-4H3,(H,26,27,28)/t20-,21+/m0/s1
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n/an/a 731n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138210
PNG
(US8871778, 189)
Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C23H26ClN7O/c1-14-16(11-30-9-7-18(32)13-30)12-31(28-14)21-6-8-25-23(27-21)26-17-4-5-20-19(10-17)22(24)15(2)29(20)3/h4-6,8,10,12,18,32H,7,9,11,13H2,1-3H3,(H,25,26,27)/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138207
PNG
(US8871778, 176)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1nc(Nc2ccc3n(C)c(C)c(Cl)c3c2)ncc1F
Show InChI InChI=1S/C22H23ClFN7O/c1-12-14(8-30-10-16(32)11-30)9-31(28-12)21-18(24)7-25-22(27-21)26-15-4-5-19-17(6-15)20(23)13(2)29(19)3/h4-7,9,16,32H,8,10-11H2,1-3H3,(H,25,26,27)
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n/an/a 1.00E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138204
PNG
(US8871778, 161)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)nc(Cl)c3c2)n1
Show InChI InChI=1S/C20H21ClN8O/c1-12-13(8-28-10-15(30)11-28)9-29(25-12)18-5-6-22-20(24-18)23-14-3-4-17-16(7-14)19(21)26-27(17)2/h3-7,9,15,30H,8,10-11H2,1-2H3,(H,22,23,24)
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n/an/a 1.12E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138221
PNG
(US8871778, 52)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)ccc3c2)n1
Show InChI InChI=1S/C21H23N7O/c1-14-16(10-27-12-18(29)13-27)11-28(25-14)20-5-7-22-21(24-20)23-17-3-4-19-15(9-17)6-8-26(19)2/h3-9,11,18,29H,10,12-13H2,1-2H3,(H,22,23,24)
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n/an/a 1.69E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138203
PNG
(US8871778, 160)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)ncc3c2)n1
Show InChI InChI=1S/C20H22N8O/c1-13-15(9-27-11-17(29)12-27)10-28(25-13)19-5-6-21-20(24-19)23-16-3-4-18-14(7-16)8-22-26(18)2/h3-8,10,17,29H,9,11-12H2,1-2H3,(H,21,23,24)
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n/an/a 1.87E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138205
PNG
(US8871778, 163)
Show SMILES CC(C)n1nc(Cl)c2cc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)ccc12
Show InChI InChI=1S/C22H25ClN8O/c1-13(2)31-19-5-4-16(8-18(19)21(23)28-31)25-22-24-7-6-20(26-22)30-10-15(14(3)27-30)9-29-11-17(32)12-29/h4-8,10,13,17,32H,9,11-12H2,1-3H3,(H,24,25,26)
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n/an/a 1.91E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138216
PNG
(US8871778, 240)
Show SMILES Cc1nn(cc1CCN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C24H28ClN7O/c1-15-17(7-10-31-11-8-19(33)14-31)13-32(29-15)22-6-9-26-24(28-22)27-18-4-5-21-20(12-18)23(25)16(2)30(21)3/h4-6,9,12-13,19,33H,7-8,10-11,14H2,1-3H3,(H,26,27,28)/t19-/m1/s1
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n/an/a 2.11E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138206
PNG
(US8871778, 173)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3oc(C)c(Cl)c3c2)n1
Show InChI InChI=1S/C21H21ClN6O2/c1-12-14(8-27-10-16(29)11-27)9-28(26-12)19-5-6-23-21(25-19)24-15-3-4-18-17(7-15)20(22)13(2)30-18/h3-7,9,16,29H,8,10-11H2,1-2H3,(H,23,24,25)
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n/an/a 3.90E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138218
PNG
(US8871778, 254)
Show SMILES C[C@@H]1C[C@@H](O)CN1Cc1cn(nc1C)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C24H28ClN7O/c1-14-9-19(33)13-31(14)11-17-12-32(29-15(17)2)22-7-8-26-24(28-22)27-18-5-6-21-20(10-18)23(25)16(3)30(21)4/h5-8,10,12,14,19,33H,9,11,13H2,1-4H3,(H,26,27,28)/t14-,19-/m1/s1
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n/an/a 4.27E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138215
PNG
(US8871778, 235)
Show SMILES COC[C@@H]1C[C@@H](O)CN1Cc1cn(nc1C)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C25H30ClN7O2/c1-15-17(11-32-13-20(34)10-19(32)14-35-4)12-33(30-15)23-7-8-27-25(29-23)28-18-5-6-22-21(9-18)24(26)16(2)31(22)3/h5-9,12,19-20,34H,10-11,13-14H2,1-4H3,(H,27,28,29)/t19-,20+/m0/s1
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n/an/a 8.37E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM138214
PNG
(US8871778, 231)
Show SMILES Cc1nn(cc1CN1C[C@H](O)C[C@H]1C(O)=O)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r|
Show InChI InChI=1S/C24H26ClN7O3/c1-13-15(10-31-12-17(33)9-20(31)23(34)35)11-32(29-13)21-6-7-26-24(28-21)27-16-4-5-19-18(8-16)22(25)14(2)30(19)3/h4-8,11,17,20,33H,9-10,12H2,1-3H3,(H,34,35)(H,26,27,28)/t17-,20+/m1/s1
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n/an/a 9.46E+3n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...

US Patent US8871778 (2014)


BindingDB Entry DOI: 10.7270/Q2X065R6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%