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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50008039   
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))
BDBM185149
PNG
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
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n/an/a 0.0600n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM144315
PNG
(Gilteritinib | US11512074, Example T-9 | US8969336...)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 0.290n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human FLT3 (564 to 993 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM185149
PNG
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835H mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM144315
PNG
(Gilteritinib | US11512074, Example T-9 | US8969336...)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 0.730n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human AXL (464 to 885 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515042
PNG
(CHEMBL4593398)
Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)
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n/an/a 1n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515042
PNG
(CHEMBL4593398)
Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)
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n/an/a 2n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515042
PNG
(CHEMBL4593398)
Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)
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n/an/a 5n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515043
PNG
(E-6201 | E6201 | ER-806201)
Show SMILES CCNc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/[C@@H](C)[C@H](C)OC2=O |r,c:20,t:11|
Show InChI InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) phosphorylation by [gamma-33P]-ATP assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/a 7n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length Pim-1 using KKRNRTLTV as substrate after 40 mins by [gamma-33P]-ATP assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Lymphokine-activated killer T-cell-originated protein kinase


(Homo sapiens (Human))
BDBM50515042
PNG
(CHEMBL4593398)
Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)
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n/an/a 21n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of TOPK (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210177
PNG
(ONX-0803 | Pacritinib | SB-1518 | SB1518)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29|
Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
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n/an/a 22n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50210177
PNG
(ONX-0803 | Pacritinib | SB-1518 | SB1518)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29|
Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
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n/an/a 23n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM185149
PNG
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD/D835H double mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM185149
PNG
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)
Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD/D835Y double mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/a 44n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50515043
PNG
(E-6201 | E6201 | ER-806201)
Show SMILES CCNc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/[C@@H](C)[C@H](C)OC2=O |r,c:20,t:11|
Show InChI InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) phosphorylation by [gamma-33P]-ATP assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/a 69n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged recombinant human Pim-3 using KKRNRTLTV as substrate after 40 mins by [gamma-33P]-ATP assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
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 70n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of IKK2 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 120n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 134n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515041
PNG
(CHEMBL4125960)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)
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n/an/a 149n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of AKT (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(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 200n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human PDGFR-beta (557 to end residues) using EAIYAAPFAKKK as substrate after 10 mins in presence of ...


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 218n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
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 220n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human FLT3 (563 to 993 residues) cytoplasmic domain expressed in baculovirus infected sf9 cells using EAIYAAPFAKK...


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/a 363n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Pim-2 expressed in Escherichia coli cells using KKRNRTLTV as substrate after 40 mins by [gamma-33P]-ATP assay


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM50515040
PNG
(CHEMBL4474361)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H31N7O4S/c1-16(2)38(35,36)23-7-5-4-6-21(23)28-24-19-15-27-32-25(19)31-26(30-24)29-20-9-8-17(14-22(20)37-3)33-12-10-18(34)11-13-33/h4-9,14-16,18,34H,10-13H2,1-3H3,(H3,27,28,29,30,31,32)
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n/an/a 494n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FES (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM50515041
PNG
(CHEMBL4125960)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)
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n/an/a 527n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FES (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515041
PNG
(CHEMBL4125960)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)
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n/an/a 536n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 536n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 569n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FES (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(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 618n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin) expressed in mouse BAF3 cells


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515040
PNG
(CHEMBL4474361)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H31N7O4S/c1-16(2)38(35,36)23-7-5-4-6-21(23)28-24-19-15-27-32-25(19)31-26(30-24)29-20-9-8-17(14-22(20)37-3)33-12-10-18(34)11-13-33/h4-9,14-16,18,34H,10-13H2,1-3H3,(H3,27,28,29,30,31,32)
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n/an/a 642n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515040
PNG
(CHEMBL4474361)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H31N7O4S/c1-16(2)38(35,36)23-7-5-4-6-21(23)28-24-19-15-27-32-25(19)31-26(30-24)29-20-9-8-17(14-22(20)37-3)33-12-10-18(34)11-13-33/h4-9,14-16,18,34H,10-13H2,1-3H3,(H3,27,28,29,30,31,32)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515040
PNG
(CHEMBL4474361)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H31N7O4S/c1-16(2)38(35,36)23-7-5-4-6-21(23)28-24-19-15-27-32-25(19)31-26(30-24)29-20-9-8-17(14-22(20)37-3)33-12-10-18(34)11-13-33/h4-9,14-16,18,34H,10-13H2,1-3H3,(H3,27,28,29,30,31,32)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515041
PNG
(CHEMBL4125960)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)
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n/an/a 3.65E+3n/an/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50515044
PNG
(CHEMBL4444272)
Show SMILES [H][C@]12C[C@H](O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H19N3O5/c1-26-23(31)15(30)10-16(34-26)28-13-8-4-2-6-11(13)17-19-20(25(33)27-24(19)32)18-12-7-3-5-9-14(12)29(26)22(18)21(17)28/h2-9,15-16,23,30-31H,10H2,1H3,(H,27,32,33)/t15-,16+,23+,26-/m0/s1
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n/an/an/a 3.20n/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Binding affinity to FLT3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50515044
PNG
(CHEMBL4444272)
Show SMILES [H][C@]12C[C@H](O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H19N3O5/c1-26-23(31)15(30)10-16(34-26)28-13-8-4-2-6-11(13)17-19-20(25(33)27-24(19)32)18-12-7-3-5-9-14(12)29(26)22(18)21(17)28/h2-9,15-16,23,30-31H,10H2,1H3,(H,27,32,33)/t15-,16+,23+,26-/m0/s1
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n/an/an/a 2.90n/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Binding affinity to Pim-1 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 11n/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged human FLT3 (563 to 993 residues) cytoplasmic domain expressed in baculovirus infected sf9 cells using poly ...


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 88n/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of SKY (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50515044
PNG
(CHEMBL4444272)
Show SMILES [H][C@]12C[C@H](O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H19N3O5/c1-26-23(31)15(30)10-16(34-26)28-13-8-4-2-6-11(13)17-19-20(25(33)27-24(19)32)18-12-7-3-5-9-14(12)29(26)22(18)21(17)28/h2-9,15-16,23,30-31H,10H2,1H3,(H,27,32,33)/t15-,16+,23+,26-/m0/s1
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n/an/an/a 0.400n/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Binding affinity to Pim-3 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50515044
PNG
(CHEMBL4444272)
Show SMILES [H][C@]12C[C@H](O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H19N3O5/c1-26-23(31)15(30)10-16(34-26)28-13-8-4-2-6-11(13)17-19-20(25(33)27-24(19)32)18-12-7-3-5-9-14(12)29(26)22(18)21(17)28/h2-9,15-16,23,30-31H,10H2,1H3,(H,27,32,33)/t15-,16+,23+,26-/m0/s1
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n/an/an/a 3.10n/an/an/an/an/a



Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital

Curated by ChEMBL


Assay Description
Binding affinity to Pim-2 (unknown origin)


Eur J Med Chem 178: 468-483 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.002
BindingDB Entry DOI: 10.7270/Q22Z18W7
More data for this
Ligand-Target Pair