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Compile Data Set for Download or QSAR

Found 4497 hits with Last Name = 'spevak' and Initial = 'w'   
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))
BDBM342257
PNG
(4-[4-[4-[4-methyl-5-(p-tolyl)-1H- imidazol-2-yl]-1...)
Show SMILES Cc1nc([nH]c1-c1ccc(C)cc1)C1CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H27N7/c1-18-3-7-22(8-4-18)26-19(2)33-27(35-26)23-11-13-36(14-12-23)29-24-15-25(34-28(24)31-17-32-29)21-9-5-20(16-30)6-10-21/h3-10,15,17,23H,11-14H2,1-2H3,(H,33,35)(H,31,32,34)
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500n/an/an/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical cell-based activity of c-kit kinase are known in the art, for example, as described in U.S. Pat. Nos. 7,498,342 and 7,846,941,...


US Patent US9771369 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H7Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM342310
PNG
(4-[4-[5-(4-ethoxy-3-methyl-phenyl)-4- methyl-1H-im...)
Show SMILES CCOc1ccc(cc1C)-c1[nH]c(nc1C)C1(CC)CCN(CC1)c1ncnc2[nH]c(C)cc12
Show InChI InChI=1S/C27H34N6O/c1-6-27(10-12-33(13-11-27)25-21-15-18(4)30-24(21)28-16-29-25)26-31-19(5)23(32-26)20-8-9-22(34-7-2)17(3)14-20/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,31,32)(H,28,29,30)
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500n/an/an/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The c-kit mutant D816V (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit ...


US Patent US9771369 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H7Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM342320
PNG
(4-[4-[5-(2,2-difluoro-1,3-benzodioxol-5- yl)-4-met...)
Show SMILES Cc1cc2c(ncnc2[nH]1)N1CCC(C)(CC1)c1nc(C)c([nH]1)-c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C24H24F2N6O2/c1-13-10-16-20(29-13)27-12-28-21(16)32-8-6-23(3,7-9-32)22-30-14(2)19(31-22)15-4-5-17-18(11-15)34-24(25,26)33-17/h4-5,10-12H,6-9H2,1-3H3,(H,30,31)(H,27,28,29)
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500n/an/an/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The c-kit mutant D816V (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit ...


US Patent US9771369 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H7Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM342361
PNG
(4-[4-[5-[3-(difluoromethoxy)phenyl]-4- methyl-1H-i...)
Show SMILES COc1ccc(cn1)-c1cc2c(ncnc2[nH]1)N1CCC(C)(CC1)c1nc(C)c([nH]1)-c1cccc(OC(F)F)c1
Show InChI InChI=1S/C29H29F2N7O2/c1-17-24(18-5-4-6-20(13-18)40-28(30)31)37-27(35-17)29(2)9-11-38(12-10-29)26-21-14-22(36-25(21)33-16-34-26)19-7-8-23(39-3)32-15-19/h4-8,13-16,28H,9-12H2,1-3H3,(H,35,37)(H,33,34,36)
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500n/an/an/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical cell-based activity of c-kit kinase are known in the art, for example, as described in U.S. Pat. Nos. 7,498,342 and 7,846,941,...


US Patent US9771369 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H7Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM342379
PNG
(4-[4-[4-[5-(4-methoxy-3-methyl- phenyl)-4-methyl-1...)
Show SMILES COc1ccc(cc1C)-c1[nH]c(nc1C)C1(C)CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C31H33N7O2/c1-18-15-22(9-10-25(18)40-4)26-19(2)35-30(37-26)31(3)11-13-38(14-12-31)29-23-16-24(36-28(23)33-17-34-29)20-5-7-21(8-6-20)27(32)39/h5-10,15-17H,11-14H2,1-4H3,(H2,32,39)(H,35,37)(H,33,34,36)
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500n/an/an/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical cell-based activity of c-kit kinase are known in the art, for example, as described in U.S. Pat. Nos. 7,498,342 and 7,846,941,...


US Patent US9771369 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H7Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM342198
PNG
(6-(2-methoxy-4-pyridyl)-4-[4-methyl-4- (4-methyl-5...)
Show SMILES COc1cc(ccn1)-c1cc2c(ncnc2[nH]1)N1CCC(C)(CC1)c1nc(C)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C28H29N7O/c1-18-24(19-7-5-4-6-8-19)34-27(32-18)28(2)10-13-35(14-11-28)26-21-16-22(33-25(21)30-17-31-26)20-9-12-29-23(15-20)36-3/h4-9,12,15-17H,10-11,13-14H2,1-3H3,(H,32,34)(H,30,31,33)
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500n/an/an/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The c-kit mutant D816V (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit ...


US Patent US9771369 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H7Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369391
PNG
((2R)-4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3- d]pyrim...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(F)cc1)c1ccc(C)cc1 |r|
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM369352
PNG
(N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H- pyrrolo[2,3...)
Show SMILES Cc1nn(C)cc1-c1cc2c(ncnc2[nH]1)N1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N7O3S/c1-14-19(12-32(2)30-14)20-11-18-21(29-20)27-13-28-22(18)33-9-7-15(8-10-33)31-37(34,35)17-5-3-16(4-6-17)36-23(24,25)26/h3-6,11-13,15,31H,7-10H2,1-2H3,(H,27,28,29)
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Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369352
PNG
(N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H- pyrrolo[2,3...)
Show SMILES Cc1nn(C)cc1-c1cc2c(ncnc2[nH]1)N1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N7O3S/c1-14-19(12-32(2)30-14)20-11-18-21(29-20)27-13-28-22(18)33-9-7-15(8-10-33)31-37(34,35)17-5-3-16(4-6-17)36-23(24,25)26/h3-6,11-13,15,31H,7-10H2,1-2H3,(H,27,28,29)
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Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM369353
PNG
(N-[1-[6-(cyclopenten-1-yl)-7H- pyrrolo[2,3-d]pyrim...)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)c1ncnc2[nH]c(cc12)C1=CCCC1 |t:34|
Show InChI InChI=1S/C23H24F3N5O3S/c24-23(25,26)34-17-5-7-18(8-6-17)35(32,33)30-16-9-11-31(12-10-16)22-19-13-20(15-3-1-2-4-15)29-21(19)27-14-28-22/h3,5-8,13-14,16,30H,1-2,4,9-12H2,(H,27,28,29)
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Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369353
PNG
(N-[1-[6-(cyclopenten-1-yl)-7H- pyrrolo[2,3-d]pyrim...)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)c1ncnc2[nH]c(cc12)C1=CCCC1 |t:34|
Show InChI InChI=1S/C23H24F3N5O3S/c24-23(25,26)34-17-5-7-18(8-6-17)35(32,33)30-16-9-11-31(12-10-16)22-19-13-20(15-3-1-2-4-15)29-21(19)27-14-28-22/h3,5-8,13-14,16,30H,1-2,4,9-12H2,(H,27,28,29)
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM369355
PNG
(4-methyl-N-[3-methyl-1-[6-(1- methylpyrazol-4-yl)-...)
Show SMILES CC1CN(CCC1NS(=O)(=O)c1ccc(C)cc1)c1ncnc2[nH]c(cc12)-c1cnn(C)c1
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Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369355
PNG
(4-methyl-N-[3-methyl-1-[6-(1- methylpyrazol-4-yl)-...)
Show SMILES CC1CN(CCC1NS(=O)(=O)c1ccc(C)cc1)c1ncnc2[nH]c(cc12)-c1cnn(C)c1
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Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM369359
PNG
(4-ethyl-N-[1-[6-(1-methylpyrazol-4-yl)- 7H-pyrrolo...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)c1ncnc2[nH]c(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O2S/c1-3-16-4-6-19(7-5-16)33(31,32)28-18-8-10-30(11-9-18)23-20-12-21(17-13-26-29(2)14-17)27-22(20)24-15-25-23/h4-7,12-15,18,28H,3,8-11H2,1-2H3,(H,24,25,27)
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Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369359
PNG
(4-ethyl-N-[1-[6-(1-methylpyrazol-4-yl)- 7H-pyrrolo...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)c1ncnc2[nH]c(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O2S/c1-3-16-4-6-19(7-5-16)33(31,32)28-18-8-10-30(11-9-18)23-20-12-21(17-13-26-29(2)14-17)27-22(20)24-15-25-23/h4-7,12-15,18,28H,3,8-11H2,1-2H3,(H,24,25,27)
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369362
PNG
(4-[6-(4-fluorophenyl)thieno[3,2- d]pyrimidin-4-yl]...)
Show SMILES CC(C)(NC(=O)N1CCC(=CC1)c1ncnc2cc(sc12)-c1ccc(F)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C27H25FN4OS/c1-27(2,20-6-4-3-5-7-20)31-26(33)32-14-12-19(13-15-32)24-25-22(29-17-30-24)16-23(34-25)18-8-10-21(28)11-9-18/h3-12,16-17H,13-15H2,1-2H3,(H,31,33)
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369363
PNG
(4-[6-(4,4-difluoro-1-piperidyl)thieno[3,2- d]pyrim...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)N1CCN(CC1(C)C)c1ncnc2cc(sc12)N1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C27H34F2N6O2S/c1-18(19-6-5-7-20(14-19)37-4)32-25(36)35-13-12-34(16-26(35,2)3)24-23-21(30-17-31-24)15-22(38-23)33-10-8-27(28,29)9-11-33/h5-7,14-15,17-18H,8-13,16H2,1-4H3,(H,32,36)/t18-/m0/s1
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369364
PNG
(US10227357, Compound P-0681 | ethyl 4-[4-[4-[[(1S)...)
Show SMILES CCOC(=O)N1CCN(CC1)c1cc2ncnc(N3CCN(C(=O)N[C@@H](C)c4cccc(OC)c4)C(C)(C)C3)c2s1 |r|
Show InChI InChI=1S/C29H39N7O4S/c1-6-40-28(38)34-12-10-33(11-13-34)24-17-23-25(41-24)26(31-19-30-23)35-14-15-36(29(3,4)18-35)27(37)32-20(2)21-8-7-9-22(16-21)39-5/h7-9,16-17,19-20H,6,10-15,18H2,1-5H3,(H,32,37)/t20-/m0/s1
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369367
PNG
((2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-2- methyl-4-...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(C)cc12)c1cccc(F)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369371
PNG
(4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimidin-4...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(F)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM369372
PNG
(N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6-(4- cyanophe...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(Cl)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369372
PNG
(N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6-(4- cyanophe...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(Cl)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369373
PNG
((2R)-4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1ccc(F)cc1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369374
PNG
((2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6- (4-cya...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1ccc(Cl)cc1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369375
PNG
((2R)-4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369376
PNG
((2R)-4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(F)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369377
PNG
((2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6- (4-cya...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(Cl)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369378
PNG
((2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[6- (2-met...)
Show SMILES COc1cc(ccn1)-c1cc2c(ncnc2[nH]1)N1CCN([C@H](C)C1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369379
PNG
(4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimidin-4...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1ccc(F)cc1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369380
PNG
(N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6-(4- cyanophe...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(Cl)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369381
PNG
(4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimidin-4...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(OC(F)F)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369382
PNG
((2R)-4-[6-(4-cyanophenyl)-7H-pyrrolo[2,3- d]pyrimi...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1cccc(OC(F)F)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369383
PNG
(N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(4- fluoroph...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(cc12)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369384
PNG
((2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6- (4-flu...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(cc12)-c1ccc(F)cc1)c1cccc(Cl)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369385
PNG
(N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(4- cyanophe...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1)c1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1ccc(Cl)cc1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369386
PNG
(4-[6-(4-fluorophenyl)thieno[3,2- d]pyrimidin-4-yl]...)
Show SMILES CC(NC(=O)N1CCN(CC1)c1ncnc2cc(sc12)-c1ccc(F)cc1)c1ccc(C)s1
Show InChI InChI=1S/C24H24FN5OS2/c1-15-3-8-20(32-15)16(2)28-24(31)30-11-9-29(10-12-30)23-22-19(26-14-27-23)13-21(33-22)17-4-6-18(25)7-5-17/h3-8,13-14,16H,9-12H2,1-2H3,(H,28,31)
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369387
PNG
(5-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2- d]pyrim...)
Show SMILES C[C@@H](NC(=O)N1CC2CCC1CN2c1ncnc2cc(sc12)-c1cn(C)nc1C)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28FN7OS/c1-15(17-4-6-18(27)7-5-17)30-26(35)34-12-19-8-9-20(34)11-33(19)25-24-22(28-14-29-25)10-23(36-24)21-13-32(3)31-16(21)2/h4-7,10,13-15,19-20H,8-9,11-12H2,1-3H3,(H,30,35)/t15-,19?,20?/m1/s1
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369388
PNG
(4-[6-(4-fluorophenyl)thieno[3,2- d]pyrimidin-4-yl]...)
Show SMILES Fc1ccc(cc1)-c1cc2ncnc(N3CCN(CC3)C(=O)NCc3cccs3)c2s1
Show InChI InChI=1S/C22H20FN5OS2/c23-16-5-3-15(4-6-16)19-12-18-20(31-19)21(26-14-25-18)27-7-9-28(10-8-27)22(29)24-13-17-2-1-11-30-17/h1-6,11-12,14H,7-10,13H2,(H,24,29)
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369389
PNG
(N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2- methoxy-...)
Show SMILES COc1cc(ccn1)-c1cc2c(ncnc2[nH]1)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)C(C)(C)C1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369390
PNG
((2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6- (2-met...)
Show SMILES COc1cc(ccn1)-c1cc2c(ncnc2[nH]1)N1CCN([C@H](C)C1)C(=O)N[C@@H](C)c1cccc(Cl)c1 |r|
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369309
PNG
(4-methyl-N-[4-(6-methylthieno[3,2- d]pyrimidin-4- ...)
Show SMILES Cc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c2s1
Show InChI InChI=1S/C20H17N3O2S2/c1-13-3-9-17(10-4-13)27(24,25)23-16-7-5-15(6-8-16)19-20-18(21-12-22-19)11-14(2)26-20/h3-12,23H,1-2H3
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369310
PNG
(N-[(4-fluorophenyl)methyl]-4-[6-[1-(2- morpholinoe...)
Show SMILES Fc1ccc(CNC(=O)N2CCN(CC2)c2ncnc3cc(sc23)-c2cnn(CCN3CCOCC3)c2)cc1
Show InChI InChI=1S/C27H31FN8O2S/c28-22-3-1-20(2-4-22)16-29-27(37)35-8-6-34(7-9-35)26-25-23(30-19-31-26)15-24(39-25)21-17-32-36(18-21)10-5-33-11-13-38-14-12-33/h1-4,15,17-19H,5-14,16H2,(H,29,37)
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Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM369314
PNG
(4-methyl-N-[4-[6-(1-methylpyrazol-4- yl)thieno[3,2...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ncnc2cc(sc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H19N5O2S2/c1-15-3-9-19(10-4-15)32(29,30)27-18-7-5-16(6-8-18)22-23-20(24-14-25-22)11-21(31-23)17-12-26-28(2)13-17/h3-14,27H,1-2H3
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369319
PNG
(N-benzyl-4-[6-(4-fluorophenyl)thieno[3,2- d]pyrimi...)
Show SMILES Fc1ccc(cc1)-c1cc2ncnc(-c3ccc(cc3)S(=O)(=O)NCc3ccccc3)c2s1
Show InChI InChI=1S/C25H18FN3O2S2/c26-20-10-6-18(7-11-20)23-14-22-25(32-23)24(28-16-27-22)19-8-12-21(13-9-19)33(30,31)29-15-17-4-2-1-3-5-17/h1-14,16,29H,15H2
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369320
PNG
(N-[4-[6-(4-fluorophenyl)thieno[3,2- d]pyrimidin-4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ncnc2cc(sc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H18FN3O2S2/c1-16-2-12-21(13-3-16)33(30,31)29-20-10-6-18(7-11-20)24-25-22(27-15-28-24)14-23(32-25)17-4-8-19(26)9-5-17/h2-15,29H,1H3
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369324
PNG
(N-(4-fluorophenyl)-4-thieno[3,2- d]pyrimidin-4-yl-...)
Show SMILES Fc1ccc(NC(=O)N2CCN(CC2)c2ncnc3ccsc23)cc1
Show InChI InChI=1S/C17H16FN5OS/c18-12-1-3-13(4-2-12)21-17(24)23-8-6-22(7-9-23)16-15-14(5-10-25-15)19-11-20-16/h1-5,10-11H,6-9H2,(H,21,24)
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369325
PNG
(N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2- dimethyl-4-(...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(C)cc12)c1cccc(Cl)c1 |r|
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369326
PNG
(N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[6-(4- fluoroph...)
Show SMILES C[C@H](NC(=O)N1CCN(CC1(C)C)c1ncnc2[nH]c(cc12)-c1ccc(F)cc1)c1ccc(F)cc1 |r|
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369327
PNG
(N-[(1S)-1-(4-fluorophenypethyl]-4-[6-(2- methoxy-4...)
Show SMILES COc1cc(ccn1)-c1cc2c(ncnc2[nH]1)N1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2)C(C)(C)C1 |r|
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM369331
PNG
((2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-2- methyl-4-...)
Show SMILES C[C@H](NC(=O)N1CCN(C[C@H]1C)c1ncnc2[nH]c(C)cc12)c1cccc(Cl)c1 |r|
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UniProtKB/SwissProt

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UniChem
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500n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
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