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Compile Data Set for Download or QSAR

Found 78 hits from Central South University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
BDBM50143052
PNG
(CHEMBL3760001)
Show SMILES OC[C@H]1O[C@H]2OC[C@H](O[C@@H]2[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
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n/an/a 28n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143056
PNG
(CHEMBL3759877)
Show SMILES COc1cccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@H]3OC[C@H](O[C@H]23)c2ccccc2)c1
Show InChI InChI=1S/C17H21N7O4/c1-2-17(8-25,9-26)7-19-14(27)10-4-3-5-11(6-10)24-22-12-13(23-24)20-16(18)21-15(12)28/h3-6,25-26H,2,7-9H2,1H3,(H,19,27)(H3,18,20,21,23,28)
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n/an/a 30n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143053
PNG
(CHEMBL3759493)
Show SMILES OC[C@H]1O[C@H]2OC[C@@H](O[C@@H]2[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C19H23N7O3/c20-19-22-16-15(18(29)23-19)24-26(25-16)13-7-4-6-11(9-13)17(28)21-10-12-5-2-1-3-8-14(12)27/h4,6-7,9,12,14,27H,1-3,5,8,10H2,(H,21,28)(H3,20,22,23,25,29)/t12-,14+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50363196
PNG
(CHEMBL1944698)
Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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n/an/a 42n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143058
PNG
(CHEMBL3758438)
Show SMILES COc1cccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@H]3OC[C@@H](O[C@H]23)c2ccccc2)c1
Show InChI InChI=1S/C20H17N7O3/c21-20-23-17-16(19(29)24-20)25-27(26-17)14-3-1-2-13(9-14)18(28)22-10-11-4-5-15-12(8-11)6-7-30-15/h1-5,8-9H,6-7,10H2,(H,22,28)(H3,21,23,24,26,29)
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n/an/a 43n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143050
PNG
(CHEMBL3759226)
Show SMILES CSCC[C@@H](N)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@H](O[C@H]12)c1ccccc1
Show InChI InChI=1S/C18H21N7O3/c19-18-21-15-14(17(28)22-18)23-25(24-15)12-6-3-5-10(8-12)16(27)20-9-11-4-1-2-7-13(11)26/h3,5-6,8,11,13,26H,1-2,4,7,9H2,(H,20,27)(H3,19,21,22,24,28)/t11-,13+/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143054
PNG
(CHEMBL3758909)
Show SMILES OC[C@H]1O[C@H]2OC[C@H](O[C@@H]2[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C24H19N7O3/c25-24-27-21-20(23(33)28-24)29-31(30-21)17-6-4-5-16(13-17)22(32)26-14-15-9-11-19(12-10-15)34-18-7-2-1-3-8-18/h1-13H,14H2,(H,26,32)(H3,25,27,28,30,33)
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n/an/a 78n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079398
PNG
(CHEMBL3417187)
Show SMILES ONC(=O)CCCCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C29H35N5O3/c35-28(33-36)14-4-1-2-5-17-34-18-6-3-7-19-37-26-13-9-11-24(21-26)27-15-16-30-29(32-27)31-25-12-8-10-23(20-25)22-34/h3,6,8-13,15-16,20-21,36H,1-2,4-5,7,14,17-19,22H2,(H,33,35)(H,30,31,32)/b6-3+
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n/an/a 87n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079398
PNG
(CHEMBL3417187)
Show SMILES ONC(=O)CCCCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C29H35N5O3/c35-28(33-36)14-4-1-2-5-17-34-18-6-3-7-19-37-26-13-9-11-24(21-26)27-15-16-30-29(32-27)31-25-12-8-10-23(20-25)22-34/h3,6,8-13,15-16,20-21,36H,1-2,4-5,7,14,17-19,22H2,(H,33,35)(H,30,31,32)/b6-3+
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n/an/a 87n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143051
PNG
(CHEMBL3758503)
Show SMILES CSCC[C@@H](N)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@@H](O[C@H]12)c1ccccc1
Show InChI InChI=1S/C15H17N7O3/c16-15-18-12-11(14(25)19-15)20-22(21-12)10-5-3-4-9(8-10)13(24)17-6-1-2-7-23/h3-5,8,23H,1-2,6-7H2,(H,17,24)(H3,16,18,19,21,25)
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n/an/a 89n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143049
PNG
(CRENATOSIDE | Crenatoside)
Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](CO)O[C@H]3OC[C@@H](O[C@H]23)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H21N7O3S/c26-25-28-22-21(24(35)29-25)30-32(31-22)18-9-5-8-15(12-18)23(34)27-13-16-6-1-3-10-19(16)36-20-11-4-2-7-17(20)14-33/h1-12,33H,13-14H2,(H,27,34)(H3,26,28,29,31,35)
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n/an/a 90n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143055
PNG
(CHEMBL3759004)
Show SMILES OC[C@H]1O[C@H]2OC[C@@H](O[C@@H]2[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O)c1ccccc1
Show InChI InChI=1S/C16H12Cl2N4O2/c17-12-3-1-9(5-13(12)18)7-22(8-23)10-2-4-14-11(6-10)15(24)21-16(19)20-14/h1-6,8H,7H2,(H3,19,20,21,24)
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n/an/a 98n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-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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n/an/a 105n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079399
PNG
(CHEMBL3417186)
Show SMILES ONC(=O)CCCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)13-3-1-4-16-33-17-5-2-6-18-36-25-12-8-10-23(20-25)26-14-15-29-28(31-26)30-24-11-7-9-22(19-24)21-33/h2,5,7-12,14-15,19-20,35H,1,3-4,6,13,16-18,21H2,(H,32,34)(H,29,30,31)/b5-2+
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n/an/a 108n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50143048
PNG
(ISOCRENATOSIDE | Isocrenatoside)
Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@H]3OC[C@@H](O[C@H]23)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N7O3/c19-17-21-14-13(16(27)22-17)23-25(24-14)12-6-4-5-11(9-12)15(26)20-10-18(28)7-2-1-3-8-18/h4-6,9,28H,1-3,7-8,10H2,(H,20,26)(H3,19,21,22,24,27)
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n/an/a 116n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Eur J Med Chem 109: 199-205 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.031
BindingDB Entry DOI: 10.7270/Q29S1SVF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079393
PNG
(CHEMBL3417192)
Show SMILES ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)12-2-1-3-15-33-16-4-5-17-36-21-23-9-6-10-24(18-23)26-13-14-29-28(31-26)30-25-11-7-8-22(19-25)20-33/h4-11,13-14,18-19,35H,1-3,12,15-17,20-21H2,(H,32,34)(H,29,30,31)/b5-4+
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n/an/a 123n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318053
PNG
((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)methy...)
Show SMILES Oc1cc(OCOC(=O)CCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C21H19NO9/c23-16-10-15(28-13-29-20(25)8-4-5-9-30-22(26)27)11-19-21(16)17(24)12-18(31-19)14-6-2-1-3-7-14/h1-3,6-7,10-12,23H,4-5,8-9,13H2
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n/an/a 130n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079399
PNG
(CHEMBL3417186)
Show SMILES ONC(=O)CCCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)13-3-1-4-16-33-17-5-2-6-18-36-25-12-8-10-23(20-25)26-14-15-29-28(31-26)30-24-11-7-9-22(19-24)21-33/h2,5,7-12,14-15,19-20,35H,1,3-4,6,13,16-18,21H2,(H,32,34)(H,29,30,31)/b5-2+
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n/an/a 152n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079394
PNG
(CHEMBL3417191)
Show SMILES ONC(=O)CCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C27H31N5O3/c33-26(31-34)11-1-2-14-32-15-3-4-16-35-20-22-8-5-9-23(17-22)25-12-13-28-27(30-25)29-24-10-6-7-21(18-24)19-32/h3-10,12-13,17-18,34H,1-2,11,14-16,19-20H2,(H,31,33)(H,28,29,30)/b4-3+
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n/an/a 158n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079392
PNG
(CHEMBL3414599)
Show SMILES ONC(=O)CCCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C29H35N5O3/c35-28(33-36)13-3-1-2-4-16-34-17-5-6-18-37-22-24-10-7-11-25(19-24)27-14-15-30-29(32-27)31-26-12-8-9-23(20-26)21-34/h5-12,14-15,19-20,36H,1-4,13,16-18,21-22H2,(H,33,35)(H,30,31,32)/b6-5+
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n/an/a 159n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50363196
PNG
(CHEMBL1944698)
Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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n/an/a 170n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079400
PNG
(CHEMBL3417185)
Show SMILES ONC(=O)CCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C27H31N5O3/c33-26(31-34)12-2-4-16-32-15-3-1-5-17-35-24-11-7-9-22(19-24)25-13-14-28-27(30-25)29-23-10-6-8-21(18-23)20-32/h1,3,6-11,13-14,18-19,34H,2,4-5,12,15-17,20H2,(H,31,33)(H,28,29,30)/b3-1+
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n/an/a 180n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318054
PNG
((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)methy...)
Show SMILES Oc1cc(OCOC(=O)CCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C23H23NO9/c25-18-12-17(30-15-31-22(27)10-6-1-2-7-11-32-24(28)29)13-21-23(18)19(26)14-20(33-21)16-8-4-3-5-9-16/h3-5,8-9,12-14,25H,1-2,6-7,10-11,15H2
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n/an/a 210n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079392
PNG
(CHEMBL3414599)
Show SMILES ONC(=O)CCCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C29H35N5O3/c35-28(33-36)13-3-1-2-4-16-34-17-5-6-18-37-22-24-10-7-11-25(19-24)27-14-15-30-29(32-27)31-26-12-8-9-23(20-26)21-34/h5-12,14-15,19-20,36H,1-4,13,16-18,21-22H2,(H,33,35)(H,30,31,32)/b6-5+
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n/an/a 217n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079394
PNG
(CHEMBL3417191)
Show SMILES ONC(=O)CCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C27H31N5O3/c33-26(31-34)11-1-2-14-32-15-3-4-16-35-20-22-8-5-9-23(17-22)25-12-13-28-27(30-25)29-24-10-6-7-21(18-24)19-32/h3-10,12-13,17-18,34H,1-2,11,14-16,19-20H2,(H,31,33)(H,28,29,30)/b4-3+
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n/an/a 218n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50336360
PNG
(3-((3-((2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-y...)
Show SMILES [O-]c1cc(oc2cc(OCC(=O)OCc3cccc(OCc4c(no[n+]4[O-])-c4ccccc4)c3)cc(=[OH+])c12)-c1ccccc1
Show InChI InChI=1S/C33H24N2O9/c36-27-15-25(16-30-32(27)28(37)17-29(43-30)22-9-3-1-4-10-22)41-20-31(38)42-18-21-8-7-13-24(14-21)40-19-26-33(34-44-35(26)39)23-11-5-2-6-12-23/h1-17,37H,18-20H2
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n/an/a 220n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase by spectrophotometric analysis


Bioorg Med Chem Lett 21: 1222-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.077
BindingDB Entry DOI: 10.7270/Q2W959GP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079391
PNG
(CHEMBL3417193)
Show SMILES ONC(=O)CCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H31N5O4/c34-26(32-36)11-1-2-12-27(35)33-15-3-4-16-37-20-22-8-5-9-23(17-22)25-13-14-29-28(31-25)30-24-10-6-7-21(18-24)19-33/h3-10,13-14,17-18,36H,1-2,11-12,15-16,19-20H2,(H,32,34)(H,29,30,31)/b4-3+
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n/an/a 221n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079397
PNG
(CHEMBL3417188)
Show SMILES ONC(=O)CCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H31N5O4/c34-26(32-36)12-2-3-13-27(35)33-16-4-1-5-17-37-24-11-7-9-22(19-24)25-14-15-29-28(31-25)30-23-10-6-8-21(18-23)20-33/h1,4,6-11,14-15,18-19,36H,2-3,5,12-13,16-17,20H2,(H,32,34)(H,29,30,31)/b4-1+
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n/an/a 246n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079400
PNG
(CHEMBL3417185)
Show SMILES ONC(=O)CCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C27H31N5O3/c33-26(31-34)12-2-4-16-32-15-3-1-5-17-35-24-11-7-9-22(19-24)25-13-14-28-27(30-25)29-23-10-6-8-21(18-23)20-32/h1,3,6-11,13-14,18-19,34H,2,4-5,12,15-17,20H2,(H,31,33)(H,28,29,30)/b3-1+
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n/an/a 251n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079378
PNG
(CHEMBL3417195)
Show SMILES ONC(=O)CCCCCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C31H37N5O4/c37-29(35-39)14-4-2-1-3-5-15-30(38)36-18-6-7-19-40-23-25-11-8-12-26(20-25)28-16-17-32-31(34-28)33-27-13-9-10-24(21-27)22-36/h6-13,16-17,20-21,39H,1-5,14-15,18-19,22-23H2,(H,35,37)(H,32,33,34)/b7-6+
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n/an/a 272n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079393
PNG
(CHEMBL3417192)
Show SMILES ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)12-2-1-3-15-33-16-4-5-17-36-21-23-9-6-10-24(18-23)26-13-14-29-28(31-26)30-25-11-7-8-22(19-25)20-33/h4-11,13-14,18-19,35H,1-3,12,15-17,20-21H2,(H,32,34)(H,29,30,31)/b5-4+
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n/an/a 288n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318056
PNG
(4-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)but...)
Show SMILES Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C19H17NO7/c21-15-10-14(25-8-4-5-9-26-20(23)24)11-18-19(15)16(22)12-17(27-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,21H,4-5,8-9H2
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n/an/a 290n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079400
PNG
(CHEMBL3417185)
Show SMILES ONC(=O)CCCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C27H31N5O3/c33-26(31-34)12-2-4-16-32-15-3-1-5-17-35-24-11-7-9-22(19-24)25-13-14-28-27(30-25)29-23-10-6-8-21(18-23)20-32/h1,3,6-11,13-14,18-19,34H,2,4-5,12,15-17,20H2,(H,31,33)(H,28,29,30)/b3-1+
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n/an/a 293n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079379
PNG
(CHEMBL3417194)
Show SMILES ONC(=O)CCCCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C30H35N5O4/c36-28(34-38)13-3-1-2-4-14-29(37)35-17-5-6-18-39-22-24-10-7-11-25(19-24)27-15-16-31-30(33-27)32-26-12-8-9-23(20-26)21-35/h5-12,15-16,19-20,38H,1-4,13-14,17-18,21-22H2,(H,34,36)(H,31,32,33)/b6-5+
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n/an/a 293n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318052
PNG
((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)methy...)
Show SMILES Oc1cc(OCOC(=O)CCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C19H15NO9/c21-14-8-13(26-11-27-18(23)6-7-28-20(24)25)9-17-19(14)15(22)10-16(29-17)12-4-2-1-3-5-12/h1-5,8-10,21H,6-7,11H2
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n/an/a 300n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079396
PNG
(CHEMBL3417189)
Show SMILES ONC(=O)CCCCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C30H35N5O4/c36-28(34-38)14-4-1-2-5-15-29(37)35-18-6-3-7-19-39-26-13-9-11-24(21-26)27-16-17-31-30(33-27)32-25-12-8-10-23(20-25)22-35/h3,6,8-13,16-17,20-21,38H,1-2,4-5,7,14-15,18-19,22H2,(H,34,36)(H,31,32,33)/b6-3+
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n/an/a 310n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079378
PNG
(CHEMBL3417195)
Show SMILES ONC(=O)CCCCCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C31H37N5O4/c37-29(35-39)14-4-2-1-3-5-15-30(38)36-18-6-7-19-40-23-25-11-8-12-26(20-25)28-16-17-32-31(34-28)33-27-13-9-10-24(21-27)22-36/h6-13,16-17,20-21,39H,1-5,14-15,18-19,22-23H2,(H,35,37)(H,32,33,34)/b7-6+
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n/an/a 334n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079395
PNG
(CHEMBL3417190)
Show SMILES ONC(=O)CCCCCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C31H37N5O4/c37-29(35-39)15-5-2-1-3-6-16-30(38)36-19-7-4-8-20-40-27-14-10-12-25(22-27)28-17-18-32-31(34-28)33-26-13-9-11-24(21-26)23-36/h4,7,9-14,17-18,21-22,39H,1-3,5-6,8,15-16,19-20,23H2,(H,35,37)(H,32,33,34)/b7-4+
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n/an/a 355n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318059
PNG
(7-(4-(nitrooxy)butoxy)-4-oxo-2-phenyl-4H-chromen-5...)
Show SMILES CC(=O)Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C21H19NO8/c1-14(23)29-19-11-16(27-9-5-6-10-28-22(25)26)12-20-21(19)17(24)13-18(30-20)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10H2,1H3
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n/an/a 390n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079394
PNG
(CHEMBL3417191)
Show SMILES ONC(=O)CCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C27H31N5O3/c33-26(31-34)11-1-2-14-32-15-3-4-16-35-20-22-8-5-9-23(17-22)25-12-13-28-27(30-25)29-24-10-6-7-21(18-24)19-32/h3-10,12-13,17-18,34H,1-2,11,14-16,19-20H2,(H,31,33)(H,28,29,30)/b4-3+
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n/an/a 392n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50336358
PNG
(3-((4-((2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-y...)
Show SMILES [O-]c1cc(oc2cc(OCC(=O)OCc3ccc(OCc4c(no[n+]4[O-])-c4ccccc4)cc3)cc(=[OH+])c12)-c1ccccc1
Show InChI InChI=1S/C33H24N2O9/c36-27-15-25(16-30-32(27)28(37)17-29(43-30)22-7-3-1-4-8-22)41-20-31(38)42-18-21-11-13-24(14-12-21)40-19-26-33(34-44-35(26)39)23-9-5-2-6-10-23/h1-17,37H,18-20H2
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n/an/a 400n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase by spectrophotometric analysis


Bioorg Med Chem Lett 21: 1222-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.077
BindingDB Entry DOI: 10.7270/Q2W959GP
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079391
PNG
(CHEMBL3417193)
Show SMILES ONC(=O)CCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H31N5O4/c34-26(32-36)11-1-2-12-27(35)33-15-3-4-16-37-20-22-8-5-9-23(17-22)25-13-14-29-28(31-25)30-24-10-6-7-21(18-24)19-33/h3-10,13-14,17-18,36H,1-2,11-12,15-16,19-20H2,(H,32,34)(H,29,30,31)/b4-3+
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n/an/a 402n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318060
PNG
(7-(6-(nitrooxy)hexyloxy)-4-oxo-2-phenyl-4H-chromen...)
Show SMILES CC(=O)Oc1cc(OCCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C23H23NO8/c1-16(25)31-21-13-18(29-11-7-2-3-8-12-30-24(27)28)14-22-23(21)19(26)15-20(32-22)17-9-5-4-6-10-17/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50318055
PNG
(2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)eth...)
Show SMILES Oc1cc(OCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C17H13NO7/c19-13-8-12(23-6-7-24-18(21)22)9-16-17(13)14(20)10-15(25-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2
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n/an/a 490n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from calf lense by AR assay


Bioorg Med Chem 18: 3020-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.056
BindingDB Entry DOI: 10.7270/Q2W66KX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079391
PNG
(CHEMBL3417193)
Show SMILES ONC(=O)CCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H31N5O4/c34-26(32-36)11-1-2-12-27(35)33-15-3-4-16-37-20-22-8-5-9-23(17-22)25-13-14-29-28(31-25)30-24-10-6-7-21(18-24)19-33/h3-10,13-14,17-18,36H,1-2,11-12,15-16,19-20H2,(H,32,34)(H,29,30,31)/b4-3+
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n/an/a 547n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50079397
PNG
(CHEMBL3417188)
Show SMILES ONC(=O)CCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H31N5O4/c34-26(32-36)12-2-3-13-27(35)33-16-4-1-5-17-37-24-11-7-9-22(19-24)25-14-15-29-28(31-25)30-23-10-6-8-21(18-23)20-33/h1,4,6-11,14-15,18-19,36H,2-3,5,12-13,16-17,20H2,(H,32,34)(H,29,30,31)/b4-1+
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n/an/a 556n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079396
PNG
(CHEMBL3417189)
Show SMILES ONC(=O)CCCCCCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C30H35N5O4/c36-28(34-38)14-4-1-2-5-15-29(37)35-18-6-3-7-19-39-26-13-9-11-24(21-26)27-16-17-31-30(33-27)32-25-12-8-10-23(20-25)22-35/h3,6,8-13,16-17,20-21,38H,1-2,4-5,7,14-15,18-19,22H2,(H,34,36)(H,31,32,33)/b6-3+
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n/an/a 558n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079393
PNG
(CHEMBL3417192)
Show SMILES ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)12-2-1-3-15-33-16-4-5-17-36-21-23-9-6-10-24(18-23)26-13-14-29-28(31-26)30-25-11-7-8-22(19-25)20-33/h4-11,13-14,18-19,35H,1-3,12,15-17,20-21H2,(H,32,34)(H,29,30,31)/b5-4+
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n/an/a 594n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079392
PNG
(CHEMBL3414599)
Show SMILES ONC(=O)CCCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C29H35N5O3/c35-28(33-36)13-3-1-2-4-16-34-17-5-6-18-37-22-24-10-7-11-25(19-24)27-14-15-30-29(32-27)31-26-12-8-9-23(20-26)21-34/h5-12,14-15,19-20,36H,1-4,13,16-18,21-22H2,(H,33,35)(H,30,31,32)/b6-5+
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n/an/a 613n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50079379
PNG
(CHEMBL3417194)
Show SMILES ONC(=O)CCCCCCC(=O)N1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C30H35N5O4/c36-28(34-38)13-3-1-2-4-14-29(37)35-17-5-6-18-39-22-24-10-7-11-25(19-24)27-15-16-31-30(33-27)32-26-12-8-9-23(20-26)21-35/h5-12,15-16,19-20,38H,1-4,13-14,17-18,21-22H2,(H,34,36)(H,31,32,33)/b6-5+
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n/an/a 684n/an/an/an/an/an/a



Central South University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader


Eur J Med Chem 95: 104-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.034
BindingDB Entry DOI: 10.7270/Q2CZ38WS
More data for this
Ligand-Target Pair
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