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Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'hsueh' and Initial = 'cc'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human C-src using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 4.90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50520460
PNG
(CHEMBL4549501)
Show SMILES S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C19H15N5S2/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)
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n/an/a 16n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells

J Med Chem 63: 1642-1659 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01549
BindingDB Entry DOI: 10.7270/Q26113QV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50138819
PNG
(CHEMBL3753837 | US10233190, Example 1357)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis

J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519727
PNG
(CHEMBL4448198)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1
Show InChI InChI=1S/C18H21N7S/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23)
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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 wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519722
PNG
(CHEMBL4475875)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccn2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50519732
PNG
(CHEMBL4483070)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccc2)nc(C)n1
Show InChI InChI=1S/C20H24N6S/c1-3-25-9-11-26(12-10-25)19-13-18(22-15(2)23-19)24-20-21-14-17(27-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,23,24)
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50584094
PNG
(CHEMBL5077002)
Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(Cl)cc2)cs1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114043
BindingDB Entry DOI: 10.7270/Q2SX6J39
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50520450
PNG
(CHEMBL4436159)
Show SMILES Clc1cccc(NC(=S)NCc2cnc3scc(C#CC4CC4)n23)c1
Show InChI InChI=1S/C18H15ClN4S2/c19-13-2-1-3-14(8-13)22-17(24)20-9-16-10-21-18-23(16)15(11-25-18)7-6-12-4-5-12/h1-3,8,10-12H,4-5,9H2,(H2,20,22,24)
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n/an/a 28n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells

J Med Chem 63: 1642-1659 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01549
BindingDB Entry DOI: 10.7270/Q26113QV
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50519727
PNG
(CHEMBL4448198)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1
Show InChI InChI=1S/C18H21N7S/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50584075
PNG
(CHEMBL5076745)
Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)s1
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114043
BindingDB Entry DOI: 10.7270/Q2SX6J39
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 31n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519729
PNG
(CHEMBL4438245)
Show SMILES Cl.CN(C)C1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C20H25N7S/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25)
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519724
PNG
(CHEMBL4521178)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(OCCN2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O2S/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24)
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519733
PNG
(CHEMBL4446778)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCF)CC1
Show InChI InChI=1S/C19H22FN7S/c1-14-23-17(12-18(24-14)27-10-8-26(7-4-20)9-11-27)25-19-22-13-16(28-19)15-2-5-21-6-3-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,22,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50584093
PNG
(CHEMBL5087302)
Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(F)cc2)cs1
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114043
BindingDB Entry DOI: 10.7270/Q2SX6J39
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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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 IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis

J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(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 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519732
PNG
(CHEMBL4483070)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccc2)nc(C)n1
Show InChI InChI=1S/C20H24N6S/c1-3-25-9-11-26(12-10-25)19-13-18(22-15(2)23-19)24-20-21-14-17(27-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,23,24)
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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 wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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
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 40n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50520449
PNG
(CHEMBL4459210)
Show SMILES Clc1cccc(NC(=O)NCc2cnc3scc(C#CC4CC4)n23)c1
Show InChI InChI=1S/C18H15ClN4OS/c19-13-2-1-3-14(8-13)22-17(24)20-9-16-10-21-18-23(16)15(11-25-18)7-6-12-4-5-12/h1-3,8,10-12H,4-5,9H2,(H2,20,22,24)
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n/an/a 42n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells

J Med Chem 63: 1642-1659 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01549
BindingDB Entry DOI: 10.7270/Q26113QV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50519728
PNG
(CHEMBL4550794)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H23N7OS/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24)
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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 wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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))		BDBM50519733
PNG
(CHEMBL4446778)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCF)CC1
Show InChI InChI=1S/C19H22FN7S/c1-14-23-17(12-18(24-14)27-10-8-26(7-4-20)9-11-27)25-19-22-13-16(28-19)15-2-5-21-6-3-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,22,23,24,25)
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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 N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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))		BDBM50519728
PNG
(CHEMBL4550794)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H23N7OS/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50519724
PNG
(CHEMBL4521178)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(OCCN2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O2S/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
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))		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 53n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50519729
PNG
(CHEMBL4438245)
Show SMILES Cl.CN(C)C1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C20H25N7S/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25)
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n/an/a 53n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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

J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
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