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Patent code US10351570

Compile Data Set for Download or QSAR
Found 11 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM406042
PNG
(US10351570, Compound 27 | US10351570, Compound 30)
Show SMILES Cc1ccc(OC2=CC=C3NC(NC(=O)C4CC4)=CN3N2)cc1NC(=O)c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C30H34N6O3/c1-20-8-11-24(39-28-13-12-27-32-26(19-36(27)34-28)33-29(37)22-9-10-22)17-25(20)31-30(38)23-7-5-6-21(16-23)18-35-14-3-2-4-15-35/h5-8,11-13,16-17,19,22,32,34H,2-4,9-10,14-15,18H2,1H3,(H,31,38)(H,33,37)
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n/an/an/a 1.10E+5n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM406046
PNG
(US10351570, Compound 40)
Show SMILES Cc1ccc(OC2=CC=C3NC(NC(=O)C4CC4)=CN3N2)cc1NC(=O)c1cccc(OCCN2CCCC2)c1
Show InChI InChI=1S/C30H34N6O4/c1-20-7-10-24(40-28-12-11-27-32-26(19-36(27)34-28)33-29(37)21-8-9-21)18-25(20)31-30(38)22-5-4-6-23(17-22)39-16-15-35-13-2-3-14-35/h4-7,10-12,17-19,21,32,34H,2-3,8-9,13-16H2,1H3,(H,31,38)(H,33,37)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM405964
PNG
(US10351570, Compound I-4)
Show SMILES Cc1cc(C(=O)Nc2cc(OC3=CC=C4NC(NC(=O)CCCN5CCC6(COC6)CC5)=CN4N3)ccc2C)n(C)n1
Show InChI InChI=1S/C30H38N8O4/c1-20-6-7-22(16-23(20)31-29(40)24-15-21(2)34-36(24)3)42-28-9-8-26-32-25(17-38(26)35-28)33-27(39)5-4-12-37-13-10-30(11-14-37)18-41-19-30/h6-9,15-17,32,35H,4-5,10-14,18-19H2,1-3H3,(H,31,40)(H,33,39)
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n/an/an/a 1.30E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM405998
PNG
(US10351570, Compound I-6)
Show SMILES Cc1ccc(OC2=CC=C3NC(NC(=O)NC4COC4)=CN3N2)cc1NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H23FN6O4/c1-14-5-6-18(10-19(14)27-23(32)15-3-2-4-16(25)9-15)35-22-8-7-21-28-20(11-31(21)30-22)29-24(33)26-17-12-34-13-17/h2-11,17,28,30H,12-13H2,1H3,(H,27,32)(H2,26,29,33)
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n/an/an/a 410n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM406041
PNG
(US10351570, Compound 24)
Show SMILES Cc1ccc(OC2=CC=C3NC(NC(=O)OC(C)(C)C)=CN3N2)cc1NC(=O)c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C31H38N6O4/c1-21-11-12-24(40-28-14-13-27-33-26(20-37(27)35-28)34-30(39)41-31(2,3)4)18-25(21)32-29(38)23-10-8-9-22(17-23)19-36-15-6-5-7-16-36/h8-14,17-18,20,33,35H,5-7,15-16,19H2,1-4H3,(H,32,38)(H,34,39)
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n/an/an/a 2.50E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM406042
PNG
(US10351570, Compound 27 | US10351570, Compound 30)
Show SMILES Cc1ccc(OC2=CC=C3NC(NC(=O)C4CC4)=CN3N2)cc1NC(=O)c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C30H34N6O3/c1-20-8-11-24(39-28-13-12-27-32-26(19-36(27)34-28)33-29(37)22-9-10-22)17-25(20)31-30(38)23-7-5-6-21(16-23)18-35-14-3-2-4-15-35/h5-8,11-13,16-17,19,22,32,34H,2-4,9-10,14-15,18H2,1H3,(H,31,38)(H,33,37)
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n/an/an/a 1.90E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM405963
PNG
(US10351570, Compound I-2)
Show SMILES CN(C)[C@H]1CCN(CC(=O)NC2=CN3NC(Oc4ccc(C)c(NC(=O)c5cc(C)nn5C)c4)=CC=C3N2)C1
Show InChI InChI=1S/C27H35N9O3/c1-17-6-7-20(13-21(17)28-27(38)22-12-18(2)31-34(22)5)39-26-9-8-24-29-23(15-36(24)32-26)30-25(37)16-35-11-10-19(14-35)33(3)4/h6-9,12-13,15,19,29,32H,10-11,14,16H2,1-5H3,(H,28,38)(H,30,37)/t19-/m0/s1
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n/an/an/a 1.60E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM405977
PNG
(US10351570, Compound I-5)
Show SMILES Cc1cc(C(=O)Nc2cc(OC3=CC=C4NC(NC(=O)NC5COC5)=CN4N3)ccc2C)n(C)n1
Show InChI InChI=1S/C23H26N8O4/c1-13-4-5-16(9-17(13)25-22(32)18-8-14(2)28-30(18)3)35-21-7-6-20-26-19(10-31(20)29-21)27-23(33)24-15-11-34-12-15/h4-10,15,26,29H,11-12H2,1-3H3,(H,25,32)(H2,24,27,33)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM406045
PNG
(US10351570, Compound 36)
Show SMILES Cc1ccc(OC2=CC=C3NC(NC(=O)C4CC4)=CN3N2)cc1NC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C30H27N5O4/c1-19-10-13-24(39-28-15-14-27-32-26(18-35(27)34-28)33-29(36)20-11-12-20)17-25(19)31-30(37)21-6-5-9-23(16-21)38-22-7-3-2-4-8-22/h2-10,13-18,20,32,34H,11-12H2,1H3,(H,31,37)(H,33,36)
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n/an/an/a 6.10E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM406044
PNG
(US10351570, Compound 33)
Show SMILES COCCOc1cccc(c1)C(=O)Nc1cc(OC2=CC=C3NC(NC(=O)C4CC4)=CN3N2)ccc1C
Show InChI InChI=1S/C27H29N5O5/c1-17-6-9-21(15-22(17)28-27(34)19-4-3-5-20(14-19)36-13-12-35-2)37-25-11-10-24-29-23(16-32(24)31-25)30-26(33)18-7-8-18/h3-6,9-11,14-16,18,29,31H,7-8,12-13H2,1-2H3,(H,28,34)(H,30,33)
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n/an/an/a 440n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM405892
PNG
(US10351570, Compound I-1)
Show SMILES Cc1cc(C(=O)Nc2cc(OC3=CC=C4NC(NC(=O)CC5COC5)=CN4N3)ccc2C)n(C)n1
Show InChI InChI=1S/C24H27N7O4/c1-14-4-5-17(10-18(14)25-24(33)19-8-15(2)28-30(19)3)35-23-7-6-21-26-20(11-31(21)29-23)27-22(32)9-16-12-34-13-16/h4-8,10-11,16,26,29H,9,12-13H2,1-3H3,(H,25,33)(H,27,32)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine...

US Patent US10351570 (2019)


BindingDB Entry DOI: 10.7270/Q2JH3PHW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%