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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50049090   
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
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 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
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 N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234237
PNG
(CHEMBL4103951)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2nccs2)C1=O |t:1|
Show InChI InChI=1S/C16H13N5O2S2/c1-7-6-10(22)21(16(7)23)20-12-11-8(2)9(3)25-14(11)19-13(18-12)15-17-4-5-24-15/h4-6H,1-3H3,(H,18,19,20)
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n/an/a 16n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
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 N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234238
PNG
(CHEMBL4086034)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2nccs2)C1=O |t:1|
Show InChI InChI=1S/C15H11N5O2S2/c1-7-5-10(21)20(15(7)22)19-11-9-6-8(2)24-13(9)18-12(17-11)14-16-3-4-23-14/h3-6H,1-2H3,(H,17,18,19)
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n/an/a 33n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234240
PNG
(CHEMBL4078075)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2ccc[nH]2)C1=O |t:1|
Show InChI InChI=1S/C17H15N5O2S/c1-8-7-12(23)22(17(8)24)21-15-13-9(2)10(3)25-16(13)20-14(19-15)11-5-4-6-18-11/h4-7,18H,1-3H3,(H,19,20,21)
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n/an/a 79n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234243
PNG
(CHEMBL4086350)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2ccco2)C1=O |t:1|
Show InChI InChI=1S/C17H14N4O3S/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 100n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234241
PNG
(CHEMBL4066588)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2ccc[nH]2)C1=O |t:1|
Show InChI InChI=1S/C16H13N5O2S/c1-8-6-12(22)21(16(8)23)20-13-10-7-9(2)24-15(10)19-14(18-13)11-4-3-5-17-11/h3-7,17H,1-2H3,(H,18,19,20)
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n/an/a 135n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234239
PNG
(CHEMBL4085792)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2ccco2)C1=O |t:1|
Show InChI InChI=1S/C16H12N4O3S/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 171n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234244
PNG
(CHEMBL4082480)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2ccc(F)cc2)C1=O |t:1|
Show InChI InChI=1S/C19H15FN4O2S/c1-9-8-14(25)24(19(9)26)23-17-15-10(2)11(3)27-18(15)22-16(21-17)12-4-6-13(20)7-5-12/h4-8H,1-3H3,(H,21,22,23)
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n/an/a 211n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50234242
PNG
(CHEMBL4075202)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2ccc(F)cc2)C1=O |t:1|
Show InChI InChI=1S/C18H13FN4O2S/c1-9-7-14(24)23(18(9)25)22-16-13-8-10(2)26-17(13)21-15(20-16)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H,20,21,22)
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n/an/a 274n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
BindingDB Entry DOI: 10.7270/Q2SF2ZFD
More data for this
Ligand-Target Pair