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Patent code US9695181

Compile Data Set for Download or QSAR
Found 15 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
Histone deacetylase 1


(Homo sapiens (human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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US Patent
n/an/a 0.230n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (human))
BDBM112876
PNG
(US9695181, IIb)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H31FN8O3/c1-17-8-13-20(28)21(15-17)33-27(38)32-19-11-9-18(10-12-19)24-23-25(29)30-16-31-26(23)36(34-24)14-6-4-2-3-5-7-22(37)35-39/h8-13,15-16,39H,2-7,14H2,1H3,(H,35,37)(H2,29,30,31)(H2,32,33,38)
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n/an/a 0.470n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM112876
PNG
(US9695181, IIb)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H31FN8O3/c1-17-8-13-20(28)21(15-17)33-27(38)32-19-11-9-18(10-12-19)24-23-25(29)30-16-31-26(23)36(34-24)14-6-4-2-3-5-7-22(37)35-39/h8-13,15-16,39H,2-7,14H2,1H3,(H,35,37)(H2,29,30,31)(H2,32,33,38)
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n/an/a 0.5n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM112653
PNG
(US9695181, IIa)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H32N8O3/c1-18-8-7-9-21(16-18)32-27(37)31-20-13-11-19(12-14-20)24-23-25(28)29-17-30-26(23)35(33-24)15-6-4-2-3-5-10-22(36)34-38/h7-9,11-14,16-17,38H,2-6,10,15H2,1H3,(H,34,36)(H2,28,29,30)(H2,31,32,37)
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n/an/a 1.09n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM112876
PNG
(US9695181, IIb)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H31FN8O3/c1-17-8-13-20(28)21(15-17)33-27(38)32-19-11-9-18(10-12-19)24-23-25(29)30-16-31-26(23)36(34-24)14-6-4-2-3-5-7-22(37)35-39/h8-13,15-16,39H,2-7,14H2,1H3,(H,35,37)(H2,29,30,31)(H2,32,33,38)
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n/an/a 2.20n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM158478
PNG
(US9029401, Sunitinib | US9695181, Sunitinib)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)11-10-24-22(29)19-13(3)18(25-14(19)4)12-15-20-16(23)8-7-9-17(20)26-21(15)28/h7-9,12,25H,5-6,10-11H2,1-4H3,(H,24,29)(H,26,28)/b15-12-
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n/an/a 2.30n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM112653
PNG
(US9695181, IIa)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H32N8O3/c1-18-8-7-9-21(16-18)32-27(37)31-20-13-11-19(12-14-20)24-23-25(28)29-17-30-26(23)35(33-24)15-6-4-2-3-5-10-22(36)34-38/h7-9,11-14,16-17,38H,2-6,10,15H2,1H3,(H,34,36)(H2,28,29,30)(H2,31,32,37)
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n/an/a 2.90n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM112653
PNG
(US9695181, IIa)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2nn(CCCCCCCC(=O)NO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H32N8O3/c1-18-8-7-9-21(16-18)32-27(37)31-20-13-11-19(12-14-20)24-23-25(28)29-17-30-26(23)35(33-24)15-6-4-2-3-5-10-22(36)34-38/h7-9,11-14,16-17,38H,2-6,10,15H2,1H3,(H,34,36)(H2,28,29,30)(H2,31,32,37)
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US Patent
n/an/a 3n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM158478
PNG
(US9029401, Sunitinib | US9695181, Sunitinib)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)11-10-24-22(29)19-13(3)18(25-14(19)4)12-15-20-16(23)8-7-9-17(20)26-21(15)28/h7-9,12,25H,5-6,10-11H2,1-4H3,(H,24,29)(H,26,28)/b15-12-
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US Patent
n/an/a 6.40n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM112878
PNG
(US9695181, IIc)
Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H32FN9O3/c1-17-6-11-20(28)21(15-17)33-27(39)32-19-9-7-18(8-10-19)24-23-25(29)30-16-31-26(23)37(34-24)14-4-13-36(2)12-3-5-22(38)35-40/h6-11,15-16,40H,3-5,12-14H2,1-2H3,(H,35,38)(H2,29,30,31)(H2,32,33,39)
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n/an/a 8.65n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM112879
PNG
(US9695181, IId)
Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H33N9O3/c1-18-6-3-7-21(16-18)32-27(38)31-20-11-9-19(10-12-20)24-23-25(28)29-17-30-26(23)36(33-24)15-5-14-35(2)13-4-8-22(37)34-39/h3,6-7,9-12,16-17,39H,4-5,8,13-15H2,1-2H3,(H,34,37)(H2,28,29,30)(H2,31,32,38)
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n/an/a 13.8n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. T...


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM112879
PNG
(US9695181, IId)
Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H33N9O3/c1-18-6-3-7-21(16-18)32-27(38)31-20-11-9-19(10-12-20)24-23-25(28)29-17-30-26(23)36(33-24)15-5-14-35(2)13-4-8-22(37)34-39/h3,6-7,9-12,16-17,39H,4-5,8,13-15H2,1-2H3,(H,34,37)(H2,28,29,30)(H2,31,32,38)
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n/an/a 99.9n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM112878
PNG
(US9695181, IIc)
Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H32FN9O3/c1-17-6-11-20(28)21(15-17)33-27(39)32-19-9-7-18(8-10-19)24-23-25(29)30-16-31-26(23)37(34-24)14-4-13-36(2)12-3-5-22(38)35-40/h6-11,15-16,40H,3-5,12-14H2,1-2H3,(H,35,38)(H2,29,30,31)(H2,32,33,39)
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n/an/a 146n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM112878
PNG
(US9695181, IIc)
Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H32FN9O3/c1-17-6-11-20(28)21(15-17)33-27(39)32-19-9-7-18(8-10-19)24-23-25(29)30-16-31-26(23)37(34-24)14-4-13-36(2)12-3-5-22(38)35-40/h6-11,15-16,40H,3-5,12-14H2,1-2H3,(H,35,38)(H2,29,30,31)(H2,32,33,39)
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n/an/a 572n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM112879
PNG
(US9695181, IId)
Show SMILES CN(CCCC(=O)NO)CCCn1nc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H33N9O3/c1-18-6-3-7-21(16-18)32-27(38)31-20-11-9-19(10-12-20)24-23-25(28)29-17-30-26(23)36(33-24)15-5-14-35(2)13-4-8-22(37)34-39/h3,6-7,9-12,16-17,39H,4-5,8,13-15H2,1-2H3,(H,34,37)(H2,28,29,30)(H2,31,32,38)
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n/an/a 1.19E+3n/an/an/an/an/an/a



DOUBLE RIDER MEDICINE CO., LTD.

US Patent


Assay Description
Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the M...


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