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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein kinase FLT3' and Ligand = 'BDBM185149'   
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))
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


TBA



Citation and Details
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 0.290n/an/an/an/an/an/a


TBA



Citation and Details
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


TBA



Citation and Details
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
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 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
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 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112205
BindingDB Entry DOI: 10.7270/Q2VM4H1R
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 2n/an/an/an/an/an/a


TBA



Citation and Details
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 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
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 3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP


ACS Med Chem Lett 7: 476-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD
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 4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP


ACS Med Chem Lett 7: 476-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD
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 6.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116596
BindingDB Entry DOI: 10.7270/Q2MK6HXN
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))
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/an/a 22n/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to human FLT3 ITD/F691L double mutant expressed in baculovirus expression system


J Med Chem 62: 2428-2446 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01714
BindingDB Entry DOI: 10.7270/Q26113R9
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/an/a 0.150n/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to non-auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expression


J Med Chem 62: 2428-2446 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01714
BindingDB Entry DOI: 10.7270/Q26113R9
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/an/a 0.260n/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to human FLT3 ITD mutant expressed in baculovirus expression system


J Med Chem 62: 2428-2446 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01714
BindingDB Entry DOI: 10.7270/Q26113R9
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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US Patent
n/an/an/a 0.820n/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
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/an/a 0.200n/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
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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Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to human FLT3 D835H mutant expressed in baculovirus expression system


J Med Chem 62: 2428-2446 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01714
BindingDB Entry DOI: 10.7270/Q26113R9
More data for this
Ligand-Target Pair