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Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'nemes' and Initial = 'z'   
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))		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 1.10n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expression system by Kinomescan method

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50504574
PNG
(CHEMBL4469622)
Show SMILES [H][C@]12C[C@](C)(CO)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H23N3O3/c1-26(13-31)11-19-29-17-9-5-3-7-14(17)20-16-12-28-25(32)22(16)21-15-8-4-6-10-18(15)30(24(21)23(20)29)27(26,2)33-19/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19-,26-,27+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) autophosphorylation expressed in BaF3 cells

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
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 4.20n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system by Kinomescan method

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin)

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50355496
PNG
(CHEMBL1908397)
Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
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n/an/a 6.60n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FLT3

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged PDGFR alpha (550 to 1089 residues) expressed in baculovirus expression system

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged Src expressed in baculovirus expression system

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged FMS expressed in baculovirus expression system

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged RET expressed in baculovirus expression system

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged VEGFR 2 expressed in baculovirus expression system

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50177716
PNG
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 ITD mutant (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50177716
PNG
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant FMS (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))		BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 14n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length His-tagged human aurora A using peptide substrate in presence of ATP at its Km concentration by Z-lyte kinase a...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50177716
PNG
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FL3 ITD mutant in human MV4-11 cells

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50177716
PNG
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
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n/an/a 27n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-kit (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389615
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN4O2S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(9-5-15)29(3,27)28/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
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n/an/a 30n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
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 30n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 30n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013509
PNG
(CHEMBL3263770)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C19H20N4O3S/c1-13-8-9-14(10-16(13)23-27(3,24)25)22-19-11-17(20-12-21-19)15-6-4-5-7-18(15)26-2/h4-12,23H,1-3H3,(H,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) expressed in HEK293 cells using GST-CTDII as substrate

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
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/a 30n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013510
PNG
(CHEMBL3263773)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
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n/an/a 44n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using MBP peptide substrate after 1 hr by FRET-based LANCE assay

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 50n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) phosphorylation measured after 2 hrs by Western blot analysis

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013602
PNG
(CHEMBL3263772)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(c2)S(N)(=O)=O)ncn1
Show InChI InChI=1S/C17H16N4O3S/c1-24-16-8-3-2-7-14(16)15-10-17(20-11-19-15)21-12-5-4-6-13(9-12)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)
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n/an/a 52n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) expressed in HEK293 cells using GST-CTDII as substrate

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389616
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C23H27ClN4O2S/c1-4-28(5-2)15-14-25-23-20-16-18(24)9-12-21(20)26-22(27-23)13-8-17-6-10-19(11-7-17)31(3,29)30/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,26,27)/b13-8+
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n/an/a 70n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389608
PNG
(N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C23H27ClN4/c1-16(2)18-8-5-17(6-9-18)7-12-22-26-21-11-10-19(24)15-20(21)23(27-22)25-13-14-28(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26,27)/b12-7+
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n/an/a 80n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389602
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylthio)phenyl]vinyl...)
Show SMILES CSc1ccc(\C=C\c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C21H23ClN4S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(27-3)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
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n/an/a 100n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389591
PNG
(N'-{2-[(E)-2-(4- isopropylphenyl)vinyl]quinazolin-...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3ccccc3n2)cc1
Show InChI InChI=1S/C23H28N4/c1-17(2)19-12-9-18(10-13-19)11-14-22-25-21-8-6-5-7-20(21)23(26-22)24-15-16-27(3)4/h5-14,17H,15-16H2,1-4H3,(H,24,25,26)/b14-11+
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n/an/a 120n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013507
PNG
(CHEMBL3263769)
Show SMILES Cc1ccc(Nc2cc(ncn2)-c2cccc(N)c2)cc1NS(C)(=O)=O
Show InChI InChI=1S/C18H19N5O2S/c1-12-6-7-15(9-16(12)23-26(2,24)25)22-18-10-17(20-11-21-18)13-4-3-5-14(19)8-13/h3-11,23H,19H2,1-2H3,(H,20,21,22)
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n/an/a 129n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin)

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013492
PNG
(CHEMBL3264159)
Show SMILES CCCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C27H28N3O3P/c1-2-15-34(31,32)19-22-11-8-12-23(16-22)30-27-17-25(28-20-29-27)24-13-6-7-14-26(24)33-18-21-9-4-3-5-10-21/h3-14,16-17,20H,2,15,18-19H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 142n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013483
PNG
(CHEMBL3264150)
Show SMILES CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1)OCC
Show InChI InChI=1S/C29H32N3O3P/c1-3-17-36(33,35-4-2)21-24-13-10-14-25(18-24)32-29-19-27(30-22-31-29)26-15-8-9-16-28(26)34-20-23-11-6-5-7-12-23/h5-16,18-19,22H,3-4,17,20-21H2,1-2H3,(H,30,31,32)
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n/an/a 143n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389604
PNG
(N,N-dimethyl-N'-(2-{(E)-2-[4- (methylsulfonyl)phen...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccccc12
Show InChI InChI=1S/C21H24N4O2S/c1-25(2)15-14-22-21-18-6-4-5-7-19(18)23-20(24-21)13-10-16-8-11-17(12-9-16)28(3,26)27/h4-13H,14-15H2,1-3H3,(H,22,23,24)/b13-10+
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n/an/a 150n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013491
PNG
(CHEMBL3264158)
Show SMILES CCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H26N3O3P/c1-2-33(30,31)18-21-11-8-12-22(15-21)29-26-16-24(27-19-28-26)23-13-6-7-14-25(23)32-17-20-9-4-3-5-10-20/h3-16,19H,2,17-18H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 163n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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 170n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
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 170n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of wildtype FLT3 (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1/2/3/4


(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 170n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FGFR (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
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 170n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFR beta (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013508
PNG
(CHEMBL3263771)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1
Show InChI InChI=1S/C17H17N5O3S/c1-25-16-8-3-2-7-14(16)15-10-17(20-11-19-15)21-12-5-4-6-13(9-12)22-26(18,23)24/h2-11,22H,1H3,(H2,18,23,24)(H,19,20,21)
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n/an/a 170n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin)

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013487
PNG
(CHEMBL3264154)
Show SMILES CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)c1)OCC
Show InChI InChI=1S/C23H27FN3O3P/c1-4-11-31(28,30-5-2)15-17-7-6-8-19(12-17)27-23-14-21(25-16-26-23)20-10-9-18(24)13-22(20)29-3/h6-10,12-14,16H,4-5,11,15H2,1-3H3,(H,25,26,27)
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n/an/a 186n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389611
PNG
(N'-{6-fluoro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3cc(F)ccc3n2)cc1
Show InChI InChI=1S/C23H27FN4/c1-16(2)18-8-5-17(6-9-18)7-12-22-26-21-11-10-19(24)15-20(21)23(27-22)25-13-14-28(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26,27)/b12-7+
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n/an/a 190n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389609
PNG
(N'-{6-chloro-2-[(E)-2-(4- isopropylphenyl)vinyl]qu...)
Show SMILES CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccc(Cl)cc12
Show InChI InChI=1S/C25H31ClN4/c1-5-30(6-2)16-15-27-25-22-17-21(26)12-13-23(22)28-24(29-25)14-9-19-7-10-20(11-8-19)18(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,27,28,29)/b14-9+
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n/an/a 190n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013437
PNG
(CHEMBL3264107)
Show SMILES CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1
Show InChI InChI=1S/C22H26N3O3P/c1-4-28-29(26,5-2)15-17-9-8-10-18(13-17)25-22-14-20(23-16-24-22)19-11-6-7-12-21(19)27-3/h6-14,16H,4-5,15H2,1-3H3,(H,23,24,25)
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n/an/a 197n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389613
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C22H25ClN4O2S/c1-27(2)14-4-13-24-22-19-15-17(23)8-11-20(19)25-21(26-22)12-7-16-5-9-18(10-6-16)30(3,28)29/h5-12,15H,4,13-14H2,1-3H3,(H,24,25,26)/b12-7+
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n/an/a 200n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50504565
PNG
(CHEMBL4446825)
Show SMILES CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccccc12
Show InChI InChI=1S/C25H32N4/c1-5-29(6-2)18-17-26-25-22-9-7-8-10-23(22)27-24(28-25)16-13-20-11-14-21(15-12-20)19(3)4/h7-16,19H,5-6,17-18H2,1-4H3,(H,26,27,28)/b16-13+
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n/an/a 200n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389591
PNG
(N'-{2-[(E)-2-(4- isopropylphenyl)vinyl]quinazolin-...)
Show SMILES CC(C)c1ccc(\C=C\c2nc(NCCN(C)C)c3ccccc3n2)cc1
Show InChI InChI=1S/C23H28N4/c1-17(2)19-12-9-18(10-13-19)11-14-22-25-21-8-6-5-7-20(21)23(26-22)24-15-16-27(3)4/h5-14,17H,15-16H2,1-4H3,(H,24,25,26)/b14-11+
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n/an/a 200n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013481
PNG
(CHEMBL3264148)
Show SMILES CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)c1)OCC
Show InChI InChI=1S/C25H32N3O3P/c1-5-14-32(29,30-6-2)17-20-10-9-11-21(15-20)28-25-16-23(26-18-27-25)22-12-7-8-13-24(22)31-19(3)4/h7-13,15-16,18-19H,5-6,14,17H2,1-4H3,(H,26,27,28)
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n/an/a 210n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50013490
PNG
(CHEMBL3264157)
Show SMILES CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C28H30N3O3P/c1-3-34-35(32,4-2)20-23-13-10-14-24(17-23)31-28-18-26(29-21-30-28)25-15-8-9-16-27(25)33-19-22-11-6-5-7-12-22/h5-18,21H,3-4,19-20H2,1-2H3,(H,29,30,31)
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n/an/a 212n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
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



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389612
PNG
(N,N-diethyl-N'-{6-fluoro-2-[(E)-2-(4- isopropylphe...)
Show SMILES CCN(CC)CCNc1nc(\C=C\c2ccc(cc2)C(C)C)nc2ccc(F)cc12
Show InChI InChI=1S/C25H31FN4/c1-5-30(6-2)16-15-27-25-22-17-21(26)12-13-23(22)28-24(29-25)14-9-19-7-10-20(11-8-19)18(3)4/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,27,28,29)/b14-9+
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n/an/a 240n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM389615
PNG
(N'-(6-chloro-2-{(E)-2-[4- (methylsulfonyl)phenyl]v...)
Show SMILES CN(C)CCNc1nc(\C=C\c2ccc(cc2)S(C)(=O)=O)nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClN4O2S/c1-26(2)13-12-23-21-18-14-16(22)7-10-19(18)24-20(25-21)11-6-15-4-8-17(9-5-15)29(3,27)28/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)/b11-6+
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n/an/a 240n/an/an/an/an/an/a



Vichem Chemie Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...

Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111710
BindingDB Entry DOI: 10.7270/Q27947ZV
More data for this
Ligand-Target Pair
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