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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50008719   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.0200n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 17 D820Y single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.120n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 17 Y823D single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.180n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 11/17 V560G/N822K double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot k...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.670n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 17 D816H single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.810n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 17 D820E single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.890n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 18 A829P single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 0.980n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT JM domain exon 11 V560G single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 1.40n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT ATP binding domain exon 13 K642E single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspo...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 1.70n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT ATP binding domain exon 14 T670I single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspo...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 4.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT ATP binding domain exon 13 V654A single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspo...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 8.60n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 17 D816V single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase ass...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 9.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 11/17 V560G/D816V double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot k...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50096120
PNG
(CHEMBL3593291)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1
Show InChI InChI=1S/C24H27N9O2S/c1-3-18-10-21(32-35-18)30-23(34)29-17-6-4-15(5-7-17)19-12-26-24(36-19)31-20-11-22(28-14(2)27-20)33-9-8-16(25)13-33/h4-7,10-12,16H,3,8-9,13,25H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,34)
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50096114
PNG
(CHEMBL3593283)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
Show InChI InChI=1S/C26H28N8OS/c1-18-28-23(16-24(29-18)34-14-12-33(2)13-15-34)32-26-27-17-22(36-26)19-8-10-21(11-9-19)31-25(35)30-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,35)(H,27,28,29,32)
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521628
PNG
(CHEMBL4546279)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)C#CCNC(=O)Nc2cc(CC)on2)ncn1
Show InChI InChI=1S/C22H27N9O2S/c1-3-16-12-19(29-33-16)27-21(32)23-7-5-6-17-14-24-22(34-17)28-18-13-20(26-15-25-18)31-10-8-30(4-2)9-11-31/h12-15H,3-4,7-11H2,1-2H3,(H2,23,27,29,32)(H,24,25,26,28)
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521625
PNG
(CHEMBL4465853)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)nc2)ncn1
Show InChI InChI=1S/C24H28N10O2S/c1-3-17-11-21(32-36-17)30-23(35)29-19-6-5-16(13-25-19)18-14-26-24(37-18)31-20-12-22(28-15-27-20)34-9-7-33(4-2)8-10-34/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,26,27,28,31)(H2,25,29,30,32,35)
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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 48n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521633
PNG
(CHEMBL4545864)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(CCCNC(=O)Nc3cc(CC)on3)s2)nc(C)n1
Show InChI InChI=1S/C23H33N9O2S/c1-4-17-13-20(30-34-17)28-22(33)24-8-6-7-18-15-25-23(35-18)29-19-14-21(27-16(3)26-19)32-11-9-31(5-2)10-12-32/h13-15H,4-12H2,1-3H3,(H2,24,28,30,33)(H,25,26,27,29)
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n/an/a 50n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50096118
PNG
(CHEMBL3593293)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1
Show InChI InChI=1S/C26H29N7O2S2/c1-3-32-13-15-33(16-14-32)25-17-24(28-19(2)29-25)30-26-27-18-23(36-26)20-9-11-21(12-10-20)31-37(34,35)22-7-5-4-6-8-22/h4-12,17-18,31H,3,13-16H2,1-2H3,(H,27,28,29,30)
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n/an/a 54n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 69n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of unactivated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovi...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521631
PNG
(CHEMBL4436208)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(ncn3)N3CCN(CCO)CC3)s2)no1
Show InChI InChI=1S/C25H29N9O3S/c1-2-19-13-22(32-37-19)30-24(36)29-18-5-3-17(4-6-18)20-15-26-25(38-20)31-21-14-23(28-16-27-21)34-9-7-33(8-10-34)11-12-35/h3-6,13-16,35H,2,7-12H2,1H3,(H,26,27,28,31)(H2,29,30,32,36)
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n/an/a 71n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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 80n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of unactivated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovi...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521627
PNG
(CHEMBL4450651)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)C2=CCN(CC2)C(=O)Nc2cc(CC)on2)nc(C)n1 |t:19|
Show InChI InChI=1S/C25H33N9O2S/c1-4-19-14-22(31-36-19)30-25(35)34-8-6-18(7-9-34)20-16-26-24(37-20)29-21-15-23(28-17(3)27-21)33-12-10-32(5-2)11-13-33/h6,14-16H,4-5,7-13H2,1-3H3,(H,30,31,35)(H,26,27,28,29)
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n/an/a 82n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 82n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521630
PNG
(CHEMBL4530082)
Show SMILES CCN1CCN(CC1)c1nc(C)nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)n1
Show InChI InChI=1S/C25H30N10O2S/c1-4-19-14-21(33-37-19)30-24(36)29-18-8-6-17(7-9-18)20-15-26-25(38-20)32-22-27-16(3)28-23(31-22)35-12-10-34(5-2)11-13-35/h6-9,14-15H,4-5,10-13H2,1-3H3,(H2,29,30,33,36)(H,26,27,28,31,32)
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n/an/a 86n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 92n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of ATP-activated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculo...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 97n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521634
PNG
(CHEMBL4528798)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(N)=O)cc2)ncn1
Show InChI InChI=1S/C20H24N8OS/c1-2-27-7-9-28(10-8-27)18-11-17(23-13-24-18)26-20-22-12-16(30-20)14-3-5-15(6-4-14)25-19(21)29/h3-6,11-13H,2,7-10H2,1H3,(H3,21,25,29)(H,22,23,24,26)
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n/an/a 98n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521626
PNG
(CHEMBL4448433)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C25H29N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
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n/an/a 102n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human c-KIT A loop exon 11/13 V559D/V654A double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot k...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521629
PNG
(CHEMBL4458373)
Show SMILES CCN1CCN(CC1)c1cc(Nc2nc(C)c(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show InChI InChI=1S/C26H31N9O2S/c1-4-20-14-22(33-37-20)31-25(36)30-19-8-6-18(7-9-19)24-17(3)29-26(38-24)32-21-15-23(28-16-27-21)35-12-10-34(5-2)11-13-35/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,28,29,32)(H2,30,31,33,36)
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n/an/a 122n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521632
PNG
(CHEMBL4473755)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(C)=O)cc2)ncn1
Show InChI InChI=1S/C21H25N7OS/c1-3-27-8-10-28(11-9-27)20-12-19(23-14-24-20)26-21-22-13-18(30-21)16-4-6-17(7-5-16)25-15(2)29/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,29)(H,22,23,24,26)
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n/an/a 130n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 769n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of unactivated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovi...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50521635
PNG
(CHEMBL4438683)
Show SMILES CCN1CCN(CC1)c1cc(Nc2nc(cs2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C26H31N9O2S/c1-4-20-14-23(33-37-20)31-25(36)29-19-8-6-18(7-9-19)21-16-38-26(30-21)32-22-15-24(28-17(3)27-22)35-12-10-34(5-2)11-13-35/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,28,30,32)(H2,29,31,33,36)
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n/an/a 950n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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 3.02E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of ATP-activated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculo...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 5.21E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of ATP-activated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculo...


J Med Chem 62: 3940-3957 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01845
BindingDB Entry DOI: 10.7270/Q2TB1B92
More data for this
Ligand-Target Pair