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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'yang' and Initial = 'js'   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332481
PNG
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)
Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332476
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332480
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30)
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n/an/a 0.280n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332470
PNG
(CHEMBL1630100 | N-Hydroxy-4-(4-hydroxyphenyl)-2-((...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C21H21NO5/c1-13-2-9-19-16(10-13)12-17(21(25)27-19)11-15(20(24)22-26)6-3-14-4-7-18(23)8-5-14/h2,4-5,7-10,12,15,23,26H,3,6,11H2,1H3,(H,22,24)
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n/an/a 0.300n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332479
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30)
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n/an/a 0.460n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50224961
PNG
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)
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n/an/a 0.5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332478
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30)
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n/an/a 0.530n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332477
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28)
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n/an/a 0.660n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332477
PNG
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)
Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28)
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n/an/a 0.660n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332474
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(3-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C28H34N2O5/c1-20-8-11-26-23(16-20)19-24(28(32)35-26)18-22(27(31)29-33)10-9-21-6-5-7-25(17-21)34-15-14-30-12-3-2-4-13-30/h5-8,11,16-17,19,22,33H,2-4,9-10,12-15,18H2,1H3,(H,29,31)
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n/an/a 0.900n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332473
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C28H34N2O5/c1-20-5-12-26-23(17-20)19-24(28(32)35-26)18-22(27(31)29-33)9-6-21-7-10-25(11-8-21)34-16-15-30-13-3-2-4-14-30/h5,7-8,10-12,17,19,22,33H,2-4,6,9,13-16,18H2,1H3,(H,29,31)
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n/an/a 1n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332475
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(4-(2...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C29H36N2O5/c1-21-8-13-27-24(18-21)20-25(29(33)36-27)19-23(28(32)30-34)7-5-6-22-9-11-26(12-10-22)35-17-16-31-14-3-2-4-15-31/h8-13,18,20,23,34H,2-7,14-17,19H2,1H3,(H,30,32)
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n/an/a 1.10n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332472
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(3-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-8-9-25-21(14-19)17-23(27(31)34-25)18-22(26(30)28-32)15-20-6-5-7-24(16-20)33-13-12-29-10-3-2-4-11-29/h5-9,14,16-17,22,32H,2-4,10-13,15,18H2,1H3,(H,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193122
PNG
(CHEMBL3899727)
Show SMILES Cl.CC(C)CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:26|
Show InChI InChI=1S/C28H29N5O3S2.ClH/c1-16(2)15-29-11-12-36-20-9-7-19(8-10-20)24-18(4)23-26(32-33-22(34)14-17(3)28(33)35)30-25(31-27(23)38-24)21-6-5-13-37-21;/h5-10,13-14,16,29H,11-12,15H2,1-4H3,(H,30,31,32);1H
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n/an/a 2.5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193123
PNG
(CHEMBL3954358)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OC3CCNC3)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C26H23N5O3S2.ClH/c1-14-12-20(32)31(26(14)33)30-24-21-15(2)22(36-25(21)29-23(28-24)19-4-3-11-35-19)16-5-7-17(8-6-16)34-18-9-10-27-13-18;/h3-8,11-12,18,27H,9-10,13H2,1-2H3,(H,28,29,30);1H
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n/an/a 3.80n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193116
PNG
(CHEMBL3936771)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCNCCO)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C26H25N5O4S2.ClH/c1-15-14-20(33)31(26(15)34)30-24-21-16(2)22(37-25(21)29-23(28-24)19-4-3-13-36-19)17-5-7-18(8-6-17)35-12-10-27-9-11-32;/h3-8,13-14,27,32H,9-12H2,1-2H3,(H,28,29,30);1H
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n/an/a 5.30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193115
PNG
(CHEMBL3945656)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCN3CCCC3)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C28H27N5O3S2.ClH/c1-17-16-22(34)33(28(17)35)31-26-23-18(2)24(38-27(23)30-25(29-26)21-6-5-15-37-21)19-7-9-20(10-8-19)36-14-13-32-11-3-4-12-32;/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,29,30,31);1H
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n/an/a 6.40n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193112
PNG
(CHEMBL3966536)
Show SMILES Cl.CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:23|
Show InChI InChI=1S/C25H23N5O3S2.ClH/c1-14-13-19(31)30(25(14)32)29-23-20-15(2)21(16-6-8-17(9-7-16)33-11-10-26-3)35-24(20)28-22(27-23)18-5-4-12-34-18;/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,28,29);1H
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n/an/a 8n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332471
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30)
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n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193118
PNG
(CHEMBL3904118)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20)
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n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193114
PNG
(CHEMBL3958547)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C16H12N4O2S2/c1-8-6-12(21)20(16(8)22)19-13-10-7-9(2)24-15(10)18-14(17-13)11-4-3-5-23-11/h3-7H,1-2H3,(H,17,18,19)
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n/an/a 17n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase 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 26n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085442
PNG
(CHEMBL3427664)
Show SMILES COc1cccc(CCCn2cccc(\C=C\C(=O)NO)c2=O)c1
Show InChI InChI=1S/C18H20N2O4/c1-24-16-8-2-5-14(13-16)6-3-11-20-12-4-7-15(18(20)22)9-10-17(21)19-23/h2,4-5,7-10,12-13,23H,3,6,11H2,1H3,(H,19,21)/b10-9+
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n/an/a 30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085318
PNG
(CHEMBL3427648)
Show SMILES ONC(=O)\C=C\c1cccn(Cc2ccc3ccccc3n2)c1=O
Show InChI InChI=1S/C18H15N3O3/c22-17(20-24)10-8-14-5-3-11-21(18(14)23)12-15-9-7-13-4-1-2-6-16(13)19-15/h1-11,24H,12H2,(H,20,22)/b10-8+
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n/an/a 30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193121
PNG
(CHEMBL3975030)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OC3CCNCC3)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C27H25N5O3S2.ClH/c1-15-14-21(33)32(27(15)34)31-25-22-16(2)23(37-26(22)30-24(29-25)20-4-3-13-36-20)17-5-7-18(8-6-17)35-19-9-11-28-12-10-19;/h3-8,13-14,19,28H,9-12H2,1-2H3,(H,29,30,31);1H
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n/an/a 31n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332482
PNG
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-6-pheny...)
Show SMILES Cc1ccc2oc(=O)c(CC(CCCCc3ccccc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C23H25NO4/c1-16-11-12-21-19(13-16)15-20(23(26)28-21)14-18(22(25)24-27)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-13,15,18,27H,5-6,9-10,14H2,1H3,(H,24,25)
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n/an/a 33n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50056799
PNG
(CHEMBL3326029)
Show SMILES COc1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:13|
Show InChI InChI=1S/C17H14N4O3S2/c1-8-7-11(22)21(16(8)23)20-14-12-9(2)17(24-3)26-15(12)19-13(18-14)10-5-4-6-25-10/h4-7H,1-3H3,(H,18,19,20)
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n/an/a 46n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human FLT D835Y mutant using 10 uM ATP

Eur J Med Chem 85: 399-407 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.001
BindingDB Entry DOI: 10.7270/Q2X35038
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085444
PNG
(CHEMBL3427666)
Show SMILES CCOc1ccccc1CCCn1cccc(\C=C\C(=O)NO)c1=O
Show InChI InChI=1S/C19H22N2O4/c1-2-25-17-10-4-3-7-15(17)8-5-13-21-14-6-9-16(19(21)23)11-12-18(22)20-24/h3-4,6-7,9-12,14,24H,2,5,8,13H2,1H3,(H,20,22)/b12-11+
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n/an/a 50n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50056799
PNG
(CHEMBL3326029)
Show SMILES COc1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1 |t:13|
Show InChI InChI=1S/C17H14N4O3S2/c1-8-7-11(22)21(16(8)23)20-14-12-9(2)17(24-3)26-15(12)19-13(18-14)10-5-4-6-25-10/h4-7H,1-3H3,(H,18,19,20)
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n/an/a 55n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using 10 uM ATP

Eur J Med Chem 85: 399-407 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.001
BindingDB Entry DOI: 10.7270/Q2X35038
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332480
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30)
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n/an/a 60n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50135482
PNG
(1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|
Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 62n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta kinase (unknown origin) by Lance ULight system

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50018492
PNG
(CHEMBL3290626)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3scc(C)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C16H12N4O2S2/c1-8-6-11(21)20(16(8)22)19-14-12-9(2)7-24-15(12)18-13(17-14)10-4-3-5-23-10/h3-7H,1-2H3,(H,17,18,19)
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n/an/a 65n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50056852
PNG
(CHEMBL3290618)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3scc(-c4cccs4)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C19H12N4O2S3/c1-10-8-14(24)23(19(10)25)22-17-15-11(12-4-2-6-26-12)9-28-18(15)21-16(20-17)13-5-3-7-27-13/h2-9H,1H3,(H,20,21,22)
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n/an/a 69n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using 10 uM ATP

Eur J Med Chem 85: 399-407 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.001
BindingDB Entry DOI: 10.7270/Q2X35038
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193120
PNG
(CHEMBL3940328)
Show SMILES COc1ccc(cc1)-c1cc2c(NN3C(=O)C=C(C)C3=O)nc(nc2s1)-c1cccs1 |t:17|
Show InChI InChI=1S/C22H16N4O3S2/c1-12-10-18(27)26(22(12)28)25-19-15-11-17(13-5-7-14(29-2)8-6-13)31-21(15)24-20(23-19)16-4-3-9-30-16/h3-11H,1-2H3,(H,23,24,25)
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n/an/a 69n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085315
PNG
(CHEMBL3427651)
Show SMILES CCc1ccc(CCn2cccc(\C=C\C(=O)NO)c2=O)cc1
Show InChI InChI=1S/C18H20N2O3/c1-2-14-5-7-15(8-6-14)11-13-20-12-3-4-16(18(20)22)9-10-17(21)19-23/h3-10,12,23H,2,11,13H2,1H3,(H,19,21)/b10-9+
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n/an/a 70n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085242
PNG
(CHEMBL3427653)
Show SMILES COc1cccc(CCn2cccc(\C=C\C(=O)NO)c2=O)c1
Show InChI InChI=1S/C17H18N2O4/c1-23-15-6-2-4-13(12-15)9-11-19-10-3-5-14(17(19)21)7-8-16(20)18-22/h2-8,10,12,22H,9,11H2,1H3,(H,18,20)/b8-7+
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n/an/a 70n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50332479
PNG
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)
Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1
Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30)
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n/an/a 70n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy

Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085133
PNG
(CHEMBL3427656)
Show SMILES CCOc1ccc(CCn2cccc(\C=C\C(=O)NO)c2=O)cc1
Show InChI InChI=1S/C18H20N2O4/c1-2-24-16-8-5-14(6-9-16)11-13-20-12-3-4-15(18(20)22)7-10-17(21)19-23/h3-10,12,23H,2,11,13H2,1H3,(H,19,21)/b10-7+
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n/an/a 70n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193110
PNG
(CHEMBL3924345)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCNCc3ccccc3)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C31H27N5O3S2.ClH/c1-19-17-25(37)36(31(19)38)35-29-26-20(2)27(41-30(26)34-28(33-29)24-9-6-16-40-24)22-10-12-23(13-11-22)39-15-14-32-18-21-7-4-3-5-8-21;/h3-13,16-17,32H,14-15,18H2,1-2H3,(H,33,34,35);1H
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n/an/a 72n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50193111
PNG
(CHEMBL3931041)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(cc23)-c2ccc(O)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C21H14N4O3S2/c1-11-9-17(27)25(21(11)28)24-18-14-10-16(12-4-6-13(26)7-5-12)30-20(14)23-19(22-18)15-3-2-8-29-15/h2-10,26H,1H3,(H,22,23,24)
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n/an/a 76n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...

Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50018490
PNG
(CHEMBL3290634)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3scc(-c4ccc(OCCN5CCCCC5)cc4)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C28H27N5O3S2.ClH/c1-18-16-23(34)33(28(18)35)31-26-24-21(17-38-27(24)30-25(29-26)22-6-5-15-37-22)19-7-9-20(10-8-19)36-14-13-32-11-3-2-4-12-32;/h5-10,15-17H,2-4,11-14H2,1H3,(H,29,30,31);1H
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n/an/a 85n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085325
PNG
(CHEMBL3427642)
Show SMILES CC(C)(C)c1ccc(Cn2cccc(\C=C\C(=O)NO)c2=O)cc1
Show InChI InChI=1S/C19H22N2O3/c1-19(2,3)16-9-6-14(7-10-16)13-21-12-4-5-15(18(21)23)8-11-17(22)20-24/h4-12,24H,13H2,1-3H3,(H,20,22)/b11-8+
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n/an/a 90n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085326
PNG
(CHEMBL3427641)
Show SMILES CCc1ccc(Cn2cccc(\C=C\C(=O)NO)c2=O)cc1
Show InChI InChI=1S/C17H18N2O3/c1-2-13-5-7-14(8-6-13)12-19-11-3-4-15(17(19)21)9-10-16(20)18-22/h3-11,22H,2,12H2,1H3,(H,18,20)/b10-9+
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n/an/a 100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085438
PNG
(CHEMBL3427660)
Show SMILES ONC(=O)\C=C\c1cccn(CCCc2cccc(Br)c2)c1=O
Show InChI InChI=1S/C17H17BrN2O3/c18-15-7-1-4-13(12-15)5-2-10-20-11-3-6-14(17(20)22)8-9-16(21)19-23/h1,3-4,6-9,11-12,23H,2,5,10H2,(H,19,21)/b9-8+
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n/an/a 100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085369
PNG
(CHEMBL3427639)
Show SMILES ONC(=O)\C=C\c1cccn(Cc2ccc(Br)cc2)c1=O
Show InChI InChI=1S/C15H13BrN2O3/c16-13-6-3-11(4-7-13)10-18-9-1-2-12(15(18)20)5-8-14(19)17-21/h1-9,21H,10H2,(H,17,19)/b8-5+
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n/an/a 100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM13535
PNG
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
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n/an/a 102n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using 10 uM ATP

Eur J Med Chem 85: 399-407 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.001
BindingDB Entry DOI: 10.7270/Q2X35038
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM13535
PNG
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
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n/an/a 102n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 kinase (unknown origin)

Bioorg Med Chem Lett 24: 2655-60 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.058
BindingDB Entry DOI: 10.7270/Q20C4X94
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50085293
PNG
(CHEMBL3427652)
Show SMILES CC(C)(C)c1ccc(CCn2cccc(\C=C\C(=O)NO)c2=O)cc1
Show InChI InChI=1S/C20H24N2O3/c1-20(2,3)17-9-6-15(7-10-17)12-14-22-13-4-5-16(19(22)24)8-11-18(23)21-25/h4-11,13,25H,12,14H2,1-3H3,(H,21,23)/b11-8+
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n/an/a 110n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...

J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
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