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Compile Data Set for Download or QSAR

Found 293 hits Enz. Inhib. hit(s) with all data for entry = 11060   
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 [D835Y]


(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 0.00200n/an/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
3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 [D835Y]


(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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US Patent
n/an/a 0.00200n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 [D835Y]


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.00900n/an/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 [D835Y]


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.00900n/an/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 [D835Y]


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.00900n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


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))
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 0.236n/an/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))
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 0.236n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


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))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.356n/an/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))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.356n/an/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))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.356n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a<0.5n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835Y]


(Homo sapiens (Human))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835Y]


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


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))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


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))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a<0.508n/an/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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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n/an/a<0.508n/an/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a<0.508n/an/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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n/an/a<0.508n/an/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
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a<0.508n/an/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
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/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
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/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
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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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
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM538658
PNG
(NCGC 00249373 | US11254667, Compound I-17 | US1154...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
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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 [D835Y]


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a<0.508n/an/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 [D835Y]


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/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 [D835Y]


(Homo sapiens (Human))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


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))
BDBM538658
PNG
(NCGC 00249373 | US11254667, Compound I-17 | US1154...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
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n/an/a<0.508n/an/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))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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n/an/a<0.508n/an/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))
BDBM538619
PNG
(NCGC 00371479 | US11254667, Compound I-22 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
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n/an/a<0.508n/an/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))
BDBM538621
PNG
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)
Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
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n/an/a<0.508n/an/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))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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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 [D835Y]


(Homo sapiens (Human))
BDBM538658
PNG
(NCGC 00249373 | US11254667, Compound I-17 | US1154...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
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n/an/a<0.508n/an/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 [D835Y]


(Homo sapiens (Human))
BDBM538618
PNG
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)
Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
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n/an/a<0.508n/an/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
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.623n/an/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
Cyclin-H/Cyclin-dependent kinase 7


(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)
PDB
MMDB

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US Patent
n/an/a 0.623n/an/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
Cyclin-H/Cyclin-dependent kinase 7


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 0.623n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
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