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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein kinase FLT3' and Ligand = 'BDBM50526216'   
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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
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2n/an/an/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant human FLT3 D835Y mutant (571 to 993 residues) expressed in baculovirus expression system preincubated for 5 to...


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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
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n/an/an/a 0.830n/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to human FLT3 ITD/D835V 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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
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n/an/an/a 65n/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity to 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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
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n/an/an/a 1.5n/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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
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n/an/an/a 2.30n/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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
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n/an/an/a 5.80n/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))
BDBM50526216
PNG
(CHEMBL4553725)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C
Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
PDB

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n/an/an/a 1.30n/an/an/an/an/a



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