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Compile Data Set for Download or QSAR

Found 2211 hits Enz. Inhib. hit(s) with Target = 'KIT' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
KIT


(HUMAN)
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and 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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4n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to c-KIT (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355464
PNG
(CHEMBL1835740)
Show SMILES COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
Show InChI InChI=1S/C15H16N6O2/c1-22-11-7-6-10(9-12(11)23-2)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13/h3-9H,1-2H3,(H3,16,18,19,20)
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9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355486
PNG
(CHEMBL1835864)
Show SMILES Nc1nc(Nc2cccc(c2)C(=O)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-6-1-2-7-20-15)21-14-5-3-4-13(12-14)16(26)24-8-10-27-11-9-24/h1-7,12H,8-11H2,(H3,19,21,22,23)
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10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50388875
PNG
(CHEMBL2062935)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m1/s1
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341530
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
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<10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit after 45 mins by radiometric phosphate incorporation assay


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355465
PNG
(CHEMBL1835741)
Show SMILES COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
Show InChI InChI=1S/C14H14N6O/c1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12/h2-9H,1H3,(H3,15,17,18,19)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
KIT


(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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14n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355480
PNG
(CHEMBL1835747)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C17H19N7O/c18-16-21-17(22-24(16)15-3-1-2-8-19-15)20-13-4-6-14(7-5-13)23-9-11-25-12-10-23/h1-8H,9-12H2,(H3,18,20,21,22)
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18n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355485
PNG
(CHEMBL1835863)
Show SMILES Nc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-3-1-2-8-20-15)21-14-6-4-13(5-7-14)16(26)24-9-11-27-12-10-24/h1-8H,9-12H2,(H3,19,21,22,23)
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21n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341540
PNG
(3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
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27n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355468
PNG
(CHEMBL1835743)
Show SMILES Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C17H18FN7O/c18-13-5-4-12(24-7-9-26-10-8-24)11-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15/h1-6,11H,7-10H2,(H3,19,21,22,23)
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37n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355482
PNG
(CHEMBL1835749)
Show SMILES Nc1nc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C20H24N8O2/c21-19-25-20(26-28(19)17-3-1-2-8-22-17)24-16-6-4-15(5-7-16)18(29)23-9-10-27-11-13-30-14-12-27/h1-8H,9-14H2,(H,23,29)(H3,21,24,25,26)
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38n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50381719
PNG
(CHEMBL2022856)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H23FN6O2S/c1-15(34)12-33-13-17(10-30-33)21-11-29-25(28)23-22(14-36-24(21)23)16-5-7-19(8-6-16)31-26(35)32-20-4-2-3-18(27)9-20/h2-11,13-15,34H,12H2,1H3,(H2,28,29)(H2,31,32,35)/t15-/m1/s1
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341542
PNG
(3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)
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46n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
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60n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341523
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...)
Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
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81n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341522
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
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83n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341524
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)
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148n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341525
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)
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155n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355488
PNG
(CHEMBL1835866)
Show SMILES CC(=O)Nc1cccc(Nc2nc(N)n(n2)-c2ccccn2)c1
Show InChI InChI=1S/C15H15N7O/c1-10(23)18-11-5-4-6-12(9-11)19-15-20-14(16)22(21-15)13-7-2-3-8-17-13/h2-9H,1H3,(H,18,23)(H3,16,19,20,21)
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180n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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190n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of cKit


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
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200n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to c-KIT (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355470
PNG
(CHEMBL1835745)
Show SMILES COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
Show InChI InChI=1S/C19H20N8O2/c1-28-16-10-14(26-6-8-29-9-7-26)3-4-15(16)23-19-24-18(21)27(25-19)17-5-2-13(11-20)12-22-17/h2-5,10,12H,6-9H2,1H3,(H3,21,23,24,25)
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205n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and 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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210 -38.1n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355487
PNG
(CHEMBL1835865)
Show SMILES CC(=O)Nc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H15N7O/c1-10(23)18-11-5-7-12(8-6-11)19-15-20-14(16)22(21-15)13-4-2-3-9-17-13/h2-9H,1H3,(H,18,23)(H3,16,19,20,21)
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240n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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250 -37.7n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341526
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylami...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
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270n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50355479
PNG
(CHEMBL1835746)
Show SMILES COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
Show InChI InChI=1S/C17H23N9O/c1-25(2)9-8-19-14-10-15(21-11-20-14)26-16(18)23-17(24-26)22-12-6-4-5-7-13(12)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,21)(H3,18,22,23,24)
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270n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and 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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280 -37.4n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and stem cell growth factor receptor (KDR and 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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370 -36.7n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341528
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341529
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N
Show InChI InChI=1S/C29H32N6O2/c1-31-24-14-20(17-30)13-22(15-24)23-16-27(29(37)32-18-23)33-28(36)21-6-8-25(9-7-21)35-12-4-5-26(35)19-34-10-2-3-11-34/h6-9,13-16,18,26,31H,2-5,10-12,19H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1
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400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and 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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410n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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510n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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560 -35.7n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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620 -35.4n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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640 -35.4n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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680 -35.2n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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680n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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Article
PubMed
1.12E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-kit


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM50341527
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1
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PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


Citation and Details
More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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1.70E+3n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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2.00E+3 -32.5n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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2.30E+3n/an/an/an/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT)


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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2.60E+3 -31.9n/an/an/an/an/a7.425



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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