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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50047846   
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))
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
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
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
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
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))
BDBM50193113
PNG
(CHEMBL3905177)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C#N)c(C)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C17H11N5O2S2/c1-8-6-12(23)22(17(8)24)21-15-13-9(2)11(7-18)26-16(13)20-14(19-15)10-4-3-5-25-10/h3-6H,1-2H3,(H,19,20,21)
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n/an/a 118n/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))
BDBM50193119
PNG
(CHEMBL3984002)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(cc23)-c2ccc(F)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C21H13FN4O2S2/c1-11-9-17(27)26(21(11)28)25-18-14-10-16(12-4-6-13(22)7-5-12)30-20(14)24-19(23-18)15-3-2-8-29-15/h2-10H,1H3,(H,23,24,25)
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n/an/a 124n/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))
BDBM50056801
PNG
(CHEMBL3326032)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(CO)c(C)c23)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C17H14N4O3S2/c1-8-6-12(23)21(17(8)24)20-15-13-9(2)11(7-22)26-16(13)19-14(18-15)10-4-3-5-25-10/h3-6,22H,7H2,1-2H3,(H,18,19,20)
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n/an/a 156n/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))
BDBM50193117
PNG
(CHEMBL3921068)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCNCCC#N)cc2)-c2cccs2)C1=O |t:1|
Show InChI InChI=1S/C27H24N6O3S2.ClH/c1-16-15-21(34)33(27(16)35)32-25-22-17(2)23(38-26(22)31-24(30-25)20-5-3-14-37-20)18-6-8-19(9-7-18)36-13-12-29-11-4-10-28;/h3,5-9,14-15,29H,4,11-13H2,1-2H3,(H,30,31,32);1H
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n/an/a 191n/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
Tyrosine-protein kinase ABL1


(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 2.88E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ABL1 expressed in insect cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins in p...


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
Angiopoietin-1 receptor


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.75E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TIE2 preincubated for 15 mins followed by substrate addition measured after 30 mins in presence of [gamma-32P]ATP by TR-FRET assa...


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