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Patent code US10266535

Compile Data Set for Download or QSAR
Found 56 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 receptor FLT3


(Homo sapiens (Human))		BDBM378873
PNG
(US10266535, Compound 12)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23+/s2
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n/an/a 12n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 15.9n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378877
PNG
(US10266535, Compound 76)
Show SMILES CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H31N7O2/c1-33(2)16-23(35)31-19-10-12-20(13-11-19)34-27-24(26(28)29-17-30-27)25(32-34)18-8-14-22(15-9-18)36-21-6-4-3-5-7-21/h3-9,14-15,17,19-20H,10-13,16H2,1-2H3,(H,31,35)(H2,28,29,30)
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n/an/a 16n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378878
PNG
(US10266535, Compound 77)
Show SMILES CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H35N7O2/c1-18(2)16-24(30)29(37)34-20-10-12-21(13-11-20)36-28-25(27(31)32-17-33-28)26(35-36)19-8-14-23(15-9-19)38-22-6-4-3-5-7-22/h3-9,14-15,17-18,20-21,24H,10-13,16,30H2,1-2H3,(H,34,37)(H2,31,32,33)/t20?,21?,24-/s2
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n/an/a 18n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378857
PNG
(US10266535, Compound 33)
Show SMILES CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H33N7O2/c1-34-16-13-21(14-17-34)29(37)35-15-5-6-22(18-35)36-28-25(27(30)31-19-32-28)26(33-36)20-9-11-24(12-10-20)38-23-7-3-2-4-8-23/h2-4,7-12,19,21-22H,5-6,13-18H2,1H3,(H2,30,31,32)/t22-/s2
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n/an/a 20n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
flt3-itd protein iknase


(Homo sapiens (Human))		BDBM378878
PNG
(US10266535, Compound 77)
Show SMILES CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H35N7O2/c1-18(2)16-24(30)29(37)34-20-10-12-21(13-11-20)36-28-25(27(31)32-17-33-28)26(35-36)19-8-14-23(15-9-19)38-22-6-4-3-5-7-22/h3-9,14-15,17-18,20-21,24H,10-13,16,30H2,1-2H3,(H,34,37)(H2,31,32,33)/t20?,21?,24-/s2
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n/an/a 24n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378868
PNG
(US10266535, Compound 7)
Show SMILES N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H29N9O2/c29-23(13-19-14-31-16-32-19)28(38)36-12-4-5-20(15-36)37-27-24(26(30)33-17-34-27)25(35-37)18-8-10-22(11-9-18)39-21-6-2-1-3-7-21/h1-3,6-11,14,16-17,20,23H,4-5,12-13,15,29H2,(H,31,32)(H2,30,33,34)/t20-,23-/s2
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n/an/a 27n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378881
PNG
(US10266535, Compound 47)
Show SMILES C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C25H27N7O2/c1-16(26)25(33)31-13-5-6-18(14-31)32-24-21(23(27)28-15-29-24)22(30-32)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18H,5-6,13-14,26H2,1H3,(H2,27,28,29)/t16-,18-/s2
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n/an/a 27n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378884
PNG
(US10266535, Compound 43)
Show SMILES NCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H25N7O2/c25-13-20(32)30-12-4-5-17(14-30)31-24-21(23(26)27-15-28-24)22(29-31)16-8-10-19(11-9-16)33-18-6-2-1-3-7-18/h1-3,6-11,15,17H,4-5,12-14,25H2,(H2,26,27,28)/t17-/s2
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n/an/a 28n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378880
PNG
(US10266535, Compound 48)
Show SMILES N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C25H27N7O3/c26-20(14-33)25(34)31-12-4-5-17(13-31)32-24-21(23(27)28-15-29-24)22(30-32)16-8-10-19(11-9-16)35-18-6-2-1-3-7-18/h1-3,6-11,15,17,20,33H,4-5,12-14,26H2,(H2,27,28,29)/t17-,20-/s2
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n/an/a 28n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378882
PNG
(US10266535, Compound 45)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C27H31N7O2/c1-17(2)23(28)27(35)33-14-6-7-19(15-33)34-26-22(25(29)30-16-31-26)24(32-34)18-10-12-21(13-11-18)36-20-8-4-3-5-9-20/h3-5,8-13,16-17,19,23H,6-7,14-15,28H2,1-2H3,(H2,29,30,31)/t19-,23-/s2
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n/an/a 32n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378884
PNG
(US10266535, Compound 43)
Show SMILES NCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H25N7O2/c25-13-20(32)30-12-4-5-17(14-30)31-24-21(23(26)27-15-28-24)22(29-31)16-8-10-19(11-9-16)33-18-6-2-1-3-7-18/h1-3,6-11,15,17H,4-5,12-14,25H2,(H2,26,27,28)/t17-/s2
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n/an/a 37n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378866
PNG
(US10266535, Compound 5)
Show SMILES NC(=O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H23N7O3/c25-21-19-20(15-8-10-18(11-9-15)34-17-6-2-1-3-7-17)29-31(23(19)28-14-27-21)16-5-4-12-30(13-16)24(33)22(26)32/h1-3,6-11,14,16H,4-5,12-13H2,(H2,26,32)(H2,25,27,28)/t16-/s2
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HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378879
PNG
(US10266535, Compound 78)
Show SMILES CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H26N6O3S/c1-34(31,32)29-17-9-11-18(12-10-17)30-24-21(23(25)26-15-27-24)22(28-30)16-7-13-20(14-8-16)33-19-5-3-2-4-6-19/h2-8,13-15,17-18,29H,9-12H2,1H3,(H2,25,26,27)/t17?,18-
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n/an/a 42n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM50135187
PNG
(CHEMBL3745919 | US10266535, Compound 22)
Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/s2
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n/an/a 47n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378870
PNG
(US10266535, Compound 9)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C33H32N8O2/c34-27(17-22-18-36-28-11-5-4-10-26(22)28)33(42)40-16-6-7-23(19-40)41-32-29(31(35)37-20-38-32)30(39-41)21-12-14-25(15-13-21)43-24-8-2-1-3-9-24/h1-5,8-15,18,20,23,27,36H,6-7,16-17,19,34H2,(H2,35,37,38)/t23-,27+/s2
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n/an/a 49n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378883
PNG
(US10266535, Compound 44)
Show SMILES CC(O)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C26H29N7O3/c1-16(34)22(27)26(35)32-13-5-6-18(14-32)33-25-21(24(28)29-15-30-25)23(31-33)17-9-11-20(12-10-17)36-19-7-3-2-4-8-19/h2-4,7-12,15-16,18,22,34H,5-6,13-14,27H2,1H3,(H2,28,29,30)/t16?,18-,22-/s2
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n/an/a 53n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378859
PNG
(US10266535, Compound 14)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)N1CCNCC1
Show InChI InChI=1/C27H30N8O2/c28-25-23-24(19-8-10-22(11-9-19)37-21-6-2-1-3-7-21)32-35(26(23)31-18-30-25)20-5-4-14-34(17-20)27(36)33-15-12-29-13-16-33/h1-3,6-11,18,20,29H,4-5,12-17H2,(H2,28,30,31)/t20-/s2
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n/an/a 63n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378881
PNG
(US10266535, Compound 47)
Show SMILES C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C25H27N7O2/c1-16(26)25(33)31-13-5-6-18(14-31)32-24-21(23(27)28-15-29-24)22(30-32)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18H,5-6,13-14,26H2,1H3,(H2,27,28,29)/t16-,18-/s2
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n/an/a 76n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378864
PNG
(US10266535, Compound 26)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C31H31N7O2/c32-26(18-21-8-3-1-4-9-21)31(39)37-17-7-10-23(19-37)38-30-27(29(33)34-20-35-30)28(36-38)22-13-15-25(16-14-22)40-24-11-5-2-6-12-24/h1-6,8-9,11-16,20,23,26H,7,10,17-19,32H2,(H2,33,34,35)/t23-,26-/s2
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n/an/a 98n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378872
PNG
(US10266535, Compound 11)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C31H31N7O3/c32-26(17-20-8-12-23(39)13-9-20)31(40)37-16-4-5-22(18-37)38-30-27(29(33)34-19-35-30)28(36-38)21-10-14-25(15-11-21)41-24-6-2-1-3-7-24/h1-3,6-15,19,22,26,39H,4-5,16-18,32H2,(H2,33,34,35)/t22-,26+/s2
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n/an/a 100n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378860
PNG
(US10266535, Compound 20)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N
Show InChI InChI=1/C25H23N7O2/c26-13-12-21(33)31-14-4-5-18(15-31)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12,14-15H2,(H2,27,28,29)/t18-/s2
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n/an/a 114n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378864
PNG
(US10266535, Compound 26)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C31H31N7O2/c32-26(18-21-8-3-1-4-9-21)31(39)37-17-7-10-23(19-37)38-30-27(29(33)34-20-35-30)28(36-38)22-13-15-25(16-14-22)40-24-11-5-2-6-12-24/h1-6,8-9,11-16,20,23,26H,7,10,17-19,32H2,(H2,33,34,35)/t23-,26-/s2
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n/an/a 120n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378880
PNG
(US10266535, Compound 48)
Show SMILES N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C25H27N7O3/c26-20(14-33)25(34)31-12-4-5-17(13-31)32-24-21(23(27)28-15-29-24)22(30-32)16-8-10-19(11-9-16)35-18-6-2-1-3-7-18/h1-3,6-11,15,17,20,33H,4-5,12-14,26H2,(H2,27,28,29)/t17-,20-/s2
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n/an/a 121n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378858
PNG
(US10266535, Compound 30)
Show SMILES CS(=O)(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C23H24N6O3S/c1-33(30,31)28-13-5-6-17(14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-19(12-10-16)32-18-7-3-2-4-8-18/h2-4,7-12,15,17H,5-6,13-14H2,1H3,(H2,24,25,26)/t17-/s2
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n/an/a 122n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378871
PNG
(US10266535, Compound 10)
Show SMILES N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C31H31N7O3/c32-26(17-20-8-12-23(39)13-9-20)31(40)37-16-4-5-22(18-37)38-30-27(29(33)34-19-35-30)28(36-38)21-10-14-25(15-11-21)41-24-6-2-1-3-7-24/h1-3,6-15,19,22,26,39H,4-5,16-18,32H2,(H2,33,34,35)/t22-,26-/s2
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n/an/a 128n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378878
PNG
(US10266535, Compound 77)
Show SMILES CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H35N7O2/c1-18(2)16-24(30)29(37)34-20-10-12-21(13-11-20)36-28-25(27(31)32-17-33-28)26(35-36)19-8-14-23(15-9-19)38-22-6-4-3-5-7-22/h3-9,14-15,17-18,20-21,24H,10-13,16,30H2,1-2H3,(H,34,37)(H2,31,32,33)/t20?,21?,24-/s2
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n/an/a 128n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378867
PNG
(US10266535, Compound 6)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H29N9O2/c29-23(13-19-14-31-16-32-19)28(38)36-12-4-5-20(15-36)37-27-24(26(30)33-17-34-27)25(35-37)18-8-10-22(11-9-18)39-21-6-2-1-3-7-21/h1-3,6-11,14,16-17,20,23H,4-5,12-13,15,29H2,(H,31,32)(H2,30,33,34)/t20-,23+/s2
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n/an/a 128n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378865
PNG
(US10266535, Compound 27)
Show SMILES CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23-/s2
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n/an/a 144n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378871
PNG
(US10266535, Compound 10)
Show SMILES N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C31H31N7O3/c32-26(17-20-8-12-23(39)13-9-20)31(40)37-16-4-5-22(18-37)38-30-27(29(33)34-19-35-30)28(36-38)21-10-14-25(15-11-21)41-24-6-2-1-3-7-24/h1-3,6-15,19,22,26,39H,4-5,16-18,32H2,(H2,33,34,35)/t22-,26-/s2
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n/an/a 168n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378859
PNG
(US10266535, Compound 14)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)N1CCNCC1
Show InChI InChI=1/C27H30N8O2/c28-25-23-24(19-8-10-22(11-9-19)37-21-6-2-1-3-7-21)32-35(26(23)31-18-30-25)20-5-4-14-34(17-20)27(36)33-15-12-29-13-16-33/h1-3,6-11,18,20,29H,4-5,12-17H2,(H2,28,30,31)/t20-/s2
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n/an/a 186n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50135187
PNG
(CHEMBL3745919 | US10266535, Compound 22)
Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/s2
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n/an/a 190n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378862
PNG
(US10266535, Compound 23)
Show SMILES CC(O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C25H26N6O3/c1-16(32)25(33)30-13-5-6-18(14-30)31-24-21(23(26)27-15-28-24)22(29-31)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18,32H,5-6,13-14H2,1H3,(H2,26,27,28)/t16?,18-/s2
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n/an/a 204n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378863
PNG
(US10266535, Compound 25)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H33N7O2/c1-3-18(2)24(29)28(36)34-15-7-8-20(16-34)35-27-23(26(30)31-17-32-27)25(33-35)19-11-13-22(14-12-19)37-21-9-5-4-6-10-21/h4-6,9-14,17-18,20,24H,3,7-8,15-16,29H2,1-2H3,(H2,30,31,32)/t18-,20-,24-/s2
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n/an/a 216n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378869
PNG
(US10266535, Compound 8)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C33H32N8O2/c34-27(17-22-18-36-28-11-5-4-10-26(22)28)33(42)40-16-6-7-23(19-40)41-32-29(31(35)37-20-38-32)30(39-41)21-12-14-25(15-13-21)43-24-8-2-1-3-9-24/h1-5,8-15,18,20,23,27,36H,6-7,16-17,19,34H2,(H2,35,37,38)/t23-,27-/s2
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n/an/a 254n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378882
PNG
(US10266535, Compound 45)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C27H31N7O2/c1-17(2)23(28)27(35)33-14-6-7-19(15-33)34-26-22(25(29)30-16-31-26)24(32-34)18-10-12-21(13-11-18)36-20-8-4-3-5-9-20/h3-5,8-13,16-17,19,23H,6-7,14-15,28H2,1-2H3,(H2,29,30,31)/t19-,23-/s2
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n/an/a 260n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
flt3-itd protein iknase


(Homo sapiens (Human))		BDBM50135187
PNG
(CHEMBL3745919 | US10266535, Compound 22)
Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/s2
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n/an/a 330n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378879
PNG
(US10266535, Compound 78)
Show SMILES CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H26N6O3S/c1-34(31,32)29-17-9-11-18(12-10-17)30-24-21(23(25)26-15-27-24)22(28-30)16-7-13-20(14-8-16)33-19-5-3-2-4-6-19/h2-8,13-15,17-18,29H,9-12H2,1H3,(H2,25,26,27)/t17?,18-
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n/an/a 343n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378867
PNG
(US10266535, Compound 6)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H29N9O2/c29-23(13-19-14-31-16-32-19)28(38)36-12-4-5-20(15-36)37-27-24(26(30)33-17-34-27)25(35-37)18-8-10-22(11-9-18)39-21-6-2-1-3-7-21/h1-3,6-11,14,16-17,20,23H,4-5,12-13,15,29H2,(H,31,32)(H2,30,33,34)/t20-,23+/s2
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n/an/a 343n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378873
PNG
(US10266535, Compound 12)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23+/s2
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n/an/a 349n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378877
PNG
(US10266535, Compound 76)
Show SMILES CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H31N7O2/c1-33(2)16-23(35)31-19-10-12-20(13-11-19)34-27-24(26(28)29-17-30-27)25(32-34)18-8-14-22(15-9-18)36-21-6-4-3-5-7-21/h3-9,14-15,17,19-20H,10-13,16H2,1-2H3,(H,31,35)(H2,28,29,30)
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n/an/a 388n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378868
PNG
(US10266535, Compound 7)
Show SMILES N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H29N9O2/c29-23(13-19-14-31-16-32-19)28(38)36-12-4-5-20(15-36)37-27-24(26(30)33-17-34-27)25(35-37)18-8-10-22(11-9-18)39-21-6-2-1-3-7-21/h1-3,6-11,14,16-17,20,23H,4-5,12-13,15,29H2,(H,31,32)(H2,30,33,34)/t20-,23-/s2
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n/an/a 399n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378866
PNG
(US10266535, Compound 5)
Show SMILES NC(=O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H23N7O3/c25-21-19-20(15-8-10-18(11-9-15)34-17-6-2-1-3-7-17)29-31(23(19)28-14-27-21)16-5-4-12-30(13-16)24(33)22(26)32/h1-3,6-11,14,16H,4-5,12-13H2,(H2,26,32)(H2,25,27,28)/t16-/s2
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n/an/a 404n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378857
PNG
(US10266535, Compound 33)
Show SMILES CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H33N7O2/c1-34-16-13-21(14-17-34)29(37)35-15-5-6-22(18-35)36-28-25(27(30)31-19-32-28)26(33-36)20-9-11-24(12-10-20)38-23-7-3-2-4-8-23/h2-4,7-12,19,21-22H,5-6,13-18H2,1H3,(H2,30,31,32)/t22-/s2
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n/an/a 421n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
flt3-itd protein iknase


(Homo sapiens (Human))		BDBM378879
PNG
(US10266535, Compound 78)
Show SMILES CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C24H26N6O3S/c1-34(31,32)29-17-9-11-18(12-10-17)30-24-21(23(25)26-15-27-24)22(28-30)16-7-13-20(14-8-16)33-19-5-3-2-4-6-19/h2-8,13-15,17-18,29H,9-12H2,1H3,(H2,25,26,27)/t17?,18-
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n/an/a 455n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
flt3-itd protein iknase


(Homo sapiens (Human))		BDBM378877
PNG
(US10266535, Compound 76)
Show SMILES CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H31N7O2/c1-33(2)16-23(35)31-19-10-12-20(13-11-19)34-27-24(26(28)29-17-30-27)25(32-34)18-8-14-22(15-9-18)36-21-6-4-3-5-7-21/h3-9,14-15,17,19-20H,10-13,16H2,1-2H3,(H,31,35)(H2,28,29,30)
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n/an/a 478n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378874
PNG
(US10266535, Compound 2)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(F)(F)F
Show InChI InChI=1/C24H21F3N6O2/c25-24(26,27)23(34)32-12-4-5-16(13-32)33-22-19(21(28)29-14-30-22)20(31-33)15-8-10-18(11-9-15)35-17-6-2-1-3-7-17/h1-3,6-11,14,16H,4-5,12-13H2,(H2,28,29,30)/t16-/s2
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n/an/a 572n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378863
PNG
(US10266535, Compound 25)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H33N7O2/c1-3-18(2)24(29)28(36)34-15-7-8-20(16-34)35-27-23(26(30)31-17-32-27)25(33-35)19-11-13-22(14-12-19)37-21-9-5-4-6-10-21/h4-6,9-14,17-18,20,24H,3,7-8,15-16,29H2,1-2H3,(H2,30,31,32)/t18-,20-,24-/s2
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n/an/a 580n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378865
PNG
(US10266535, Compound 27)
Show SMILES CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23-/s2
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n/an/a 688n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378860
PNG
(US10266535, Compound 20)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N
Show InChI InChI=1/C25H23N7O2/c26-13-12-21(33)31-14-4-5-18(15-31)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12,14-15H2,(H2,27,28,29)/t18-/s2
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n/an/a 718n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378870
PNG
(US10266535, Compound 9)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C33H32N8O2/c34-27(17-22-18-36-28-11-5-4-10-26(22)28)33(42)40-16-6-7-23(19-40)41-32-29(31(35)37-20-38-32)30(39-41)21-12-14-25(15-13-21)43-24-8-2-1-3-9-24/h1-5,8-15,18,20,23,27,36H,6-7,16-17,19,34H2,(H2,35,37,38)/t23-,27+/s2
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n/an/a 1.06E+3n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378862
PNG
(US10266535, Compound 23)
Show SMILES CC(O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C25H26N6O3/c1-16(32)25(33)30-13-5-6-18(14-30)31-24-21(23(26)27-15-28-24)22(29-31)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18,32H,5-6,13-14H2,1H3,(H2,26,27,28)/t16?,18-/s2
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n/an/a 1.58E+3n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378858
PNG
(US10266535, Compound 30)
Show SMILES CS(=O)(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C23H24N6O3S/c1-33(30,31)28-13-5-6-17(14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-19(12-10-16)32-18-7-3-2-4-8-18/h2-4,7-12,15,17H,5-6,13-14H2,1H3,(H2,24,25,26)/t17-/s2
PDB
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UniChem
US Patent
n/an/a 1.83E+3n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378869
PNG
(US10266535, Compound 8)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C33H32N8O2/c34-27(17-22-18-36-28-11-5-4-10-26(22)28)33(42)40-16-6-7-23(19-40)41-32-29(31(35)37-20-38-32)30(39-41)21-12-14-25(15-13-21)43-24-8-2-1-3-9-24/h1-5,8-15,18,20,23,27,36H,6-7,16-17,19,34H2,(H2,35,37,38)/t23-,27-/s2
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n/an/a 1.91E+3n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378876
PNG
(US10266535, Compound 4)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)S(N)(=O)=O
Show InChI InChI=1/C22H23N7O3S/c23-21-19-20(15-8-10-18(11-9-15)32-17-6-2-1-3-7-17)27-29(22(19)26-14-25-21)16-5-4-12-28(13-16)33(24,30)31/h1-3,6-11,14,16H,4-5,12-13H2,(H2,23,25,26)(H2,24,30,31)/t16-/s2
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n/an/a 2.08E+3n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))		BDBM378875
PNG
(US10266535, Compound 3)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1/C23H21F3N6O3S/c24-23(25,26)36(33,34)31-12-4-5-16(13-31)32-22-19(21(27)28-14-29-22)20(30-32)15-8-10-18(11-9-15)35-17-6-2-1-3-7-17/h1-3,6-11,14,16H,4-5,12-13H2,(H2,27,28,29)/t16-/s2
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n/an/a 5.56E+3n/an/an/an/an/an/a



HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES; HEFEI COSOURCE PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

US Patent US10266535 (2019)

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