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Compile Data Set for Download or QSAR

Found 1173 hits of ic50 for UniProtKB: P16234   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191945
PNG
(CHEMBL3904768)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C26H19F3N6O2/c1-34-22(6-8-32-34)16-7-9-35-23(14-30-24(35)12-16)26(37)33-21-11-17(3-5-19(21)28)25(36)31-13-15-2-4-18(27)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,33,37)
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a<0.100n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 52: 3191-204 (2009)


Article DOI: 10.1021/jm800861c
BindingDB Entry DOI: 10.7270/Q23J3DWT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191977
PNG
(CHEMBL3983564)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C30H29FN8O2/c1-37-12-14-38(15-13-37)26-5-3-2-4-22(26)18-33-29(40)21-6-7-23(31)25(16-21)35-30(41)27-19-32-28-17-20(9-11-39(27)28)24-8-10-34-36-24/h2-11,16-17,19H,12-15,18H2,1H3,(H,33,40)(H,34,36)(H,35,41)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191981
PNG
(CHEMBL3979322)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-13-15-39(16-14-37)27-6-4-3-5-23(27)19-34-30(41)22-7-8-24(32)25(17-22)36-31(42)28-20-33-29-18-21(10-12-40(28)29)26-9-11-35-38(26)2/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,34,41)(H,36,42)
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n/an/a 0.180n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191973
PNG
(CHEMBL3940697)
Show SMILES Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H30FN7O2/c1-27(2)8-4-10-34(27)12-9-29-25(36)19-5-6-21(28)22(13-19)32-26(37)23-16-30-24-14-18(7-11-35(23)24)20-15-31-33(3)17-20/h5-7,11,13-17H,4,8-10,12H2,1-3H3,(H,29,36)(H,32,37)
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n/an/a 0.190n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191978
PNG
(CHEMBL3915941)
Show SMILES Cc1ncc(cc1NC(=O)c1cnn2cc(ccc12)-c1cnn(C)c1)C(=O)NCCN1CCCC1(C)C
Show InChI InChI=1S/C27H32N8O2/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37)
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n/an/a 0.200n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472778
PNG
(US10829493, Example 4)
Show SMILES Nc1ncnn2cc(cc12)-c1cnn(CCO)c1
Show InChI InChI=1S/C11H12N6O/c12-11-10-3-8(6-17(10)15-7-13-11)9-4-14-16(5-9)1-2-18/h3-7,18H,1-2H2,(H2,12,13,15)
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM469288
PNG
(US10807985, Compound 63 | US10829493, Example 63 o...)
Show SMILES CCn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H29FN10/c1-3-37-16-20(13-33-37)19-12-24-25(32-18-34-38(24)17-19)35-8-10-36(11-9-35)26-30-14-22(15-31-26)27(2,29)21-4-6-23(28)7-5-21/h4-7,12-18H,3,8-11,29H2,1-2H3/t27-/m0/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472796
PNG
(US10829493, Example 22)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H]1CC[C@H]1O |r|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,21-2-4-23(30)5-3-21)22-14-32-28(33-15-22)38-10-8-37(9-11-38)27-25-12-19(16-40(25)36-18-34-27)20-13-35-39(17-20)24-6-7-26(24)41/h2-5,12-18,24,26,41H,6-11,31H2,1H3/t24-,26-,29+/m1/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472795
PNG
(US10829493, Example 21)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@H]1CC[C@@H]1O |r|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,21-2-4-23(30)5-3-21)22-14-32-28(33-15-22)38-10-8-37(9-11-38)27-25-12-19(16-40(25)36-18-34-27)20-13-35-39(17-20)24-6-7-26(24)41/h2-5,12-18,24,26,41H,6-11,31H2,1H3/t24-,26-,29-/m0/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472794
PNG
(US10829493, Example 20)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C29H31FN10O2/c1-29(31,21-2-4-23(30)5-3-21)22-12-32-28(33-13-22)38-8-6-37(7-9-38)27-24-10-19(14-39(24)36-18-34-27)20-11-35-40(15-20)25-16-42-17-26(25)41/h2-5,10-15,18,25-26,41H,6-9,16-17,31H2,1H3/t25-,26+,29-/m0/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472793
PNG
(US10829493, Example 19)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C29H31FN10O2/c1-29(31,21-2-4-23(30)5-3-21)22-12-32-28(33-13-22)38-8-6-37(7-9-38)27-24-10-19(14-39(24)36-18-34-27)20-11-35-40(15-20)25-16-42-17-26(25)41/h2-5,10-15,18,25-26,41H,6-9,16-17,31H2,1H3/t25-,26-,29+/m1/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472792
PNG
(US10829493, Example 18)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@H]1COC[C@@H]1O |r|
Show InChI InChI=1S/C29H31FN10O2/c1-29(31,21-2-4-23(30)5-3-21)22-12-32-28(33-13-22)38-8-6-37(7-9-38)27-24-10-19(14-39(24)36-18-34-27)20-11-35-40(15-20)25-16-42-17-26(25)41/h2-5,10-15,18,25-26,41H,6-9,16-17,31H2,1H3/t25-,26-,29-/m0/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472791
PNG
(US10829493, Example 17)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H]1COC[C@@H]1O |r|
Show InChI InChI=1S/C29H31FN10O2/c1-29(31,21-2-4-23(30)5-3-21)22-12-32-28(33-13-22)38-8-6-37(7-9-38)27-24-10-19(14-39(24)36-18-34-27)20-11-35-40(15-20)25-16-42-17-26(25)41/h2-5,10-15,18,25-26,41H,6-9,16-17,31H2,1H3/t25-,26+,29+/m1/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472790
PNG
(US10829493, Example 16)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)C1CCOCC1 |r|
Show InChI InChI=1S/C30H33FN10O/c1-30(32,23-2-4-25(31)5-3-23)24-16-33-29(34-17-24)39-10-8-38(9-11-39)28-27-14-21(18-41(27)37-20-35-28)22-15-36-40(19-22)26-6-12-42-13-7-26/h2-5,14-20,26H,6-13,32H2,1H3/t30-/m0/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472789
PNG
(US10829493, Example 15)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@H]1CCOC1 |r|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,22-2-4-24(30)5-3-22)23-14-32-28(33-15-23)38-9-7-37(8-10-38)27-26-12-20(16-40(26)36-19-34-27)21-13-35-39(17-21)25-6-11-41-18-25/h2-5,12-17,19,25H,6-11,18,31H2,1H3/t25-,29-/m0/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472788
PNG
(US10829493, Example 14)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H]1CCOC1 |r|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,22-2-4-24(30)5-3-22)23-14-32-28(33-15-23)38-9-7-37(8-10-38)27-26-12-20(16-40(26)36-19-34-27)21-13-35-39(17-21)25-6-11-41-18-25/h2-5,12-17,19,25H,6-11,18,31H2,1H3/t25-,29+/m1/s1
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n/an/a<0.300n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472787
PNG
(US10829493, Example 13)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)C1(CO)CC1 |r|
Show InChI InChI=1S/C29H31FN10O/c1-28(31,22-2-4-24(30)5-3-22)23-14-32-27(33-15-23)38-10-8-37(9-11-38)26-25-12-20(16-39(25)36-19-34-26)21-13-35-40(17-21)29(18-41)6-7-29/h2-5,12-17,19,41H,6-11,18,31H2,1H3/t28-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472775
PNG
(US10829493, Example 1)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1cc2c(N)ncnn2c1
Show InChI InChI=1S/C13H16N6O/c1-13(2,20)7-18-5-10(4-16-18)9-3-11-12(14)15-8-17-19(11)6-9/h3-6,8,20H,7H2,1-2H3,(H2,14,15,17)
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472776
PNG
(US10829493, Example 2)
Show SMILES CC(C)(CO)n1cc(cn1)-c1cc2c(N)ncnn2c1
Show InChI InChI=1S/C13H16N6O/c1-13(2,7-20)19-6-10(4-16-19)9-3-11-12(14)15-8-17-18(11)5-9/h3-6,8,20H,7H2,1-2H3,(H2,14,15,17)
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472777
PNG
(US10829493, Example 3)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cc2c(N)ncnn2c1 |r|
Show InChI InChI=1S/C12H14N6O/c1-8(19)4-17-5-10(3-15-17)9-2-11-12(13)14-7-16-18(11)6-9/h2-3,5-8,19H,4H2,1H3,(H2,13,14,16)/t8-/m1/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472779
PNG
(US10829493, Example 5)
Show SMILES C[C@H](CO)n1cc(cn1)-c1cc2c(N)ncnn2c1 |r|
Show InChI InChI=1S/C12H14N6O/c1-8(6-19)17-5-10(3-15-17)9-2-11-12(13)14-7-16-18(11)4-9/h2-5,7-8,19H,6H2,1H3,(H2,13,14,16)/t8-/m1/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472780
PNG
(US10829493, Example 6)
Show SMILES C[C@@H](CO)n1cc(cn1)-c1cc2c(N)ncnn2c1 |r|
Show InChI InChI=1S/C12H14N6O/c1-8(6-19)17-5-10(3-15-17)9-2-11-12(13)14-7-16-18(11)4-9/h2-5,7-8,19H,6H2,1H3,(H2,13,14,16)/t8-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472781
PNG
(US10829493, Example 7)
Show SMILES Nc1ncnn2cc(cc12)-c1cnn(c1)C1COC1
Show InChI InChI=1S/C12H12N6O/c13-12-11-1-8(3-18(11)16-7-14-12)9-2-15-17(4-9)10-5-19-6-10/h1-4,7,10H,5-6H2,(H2,13,14,16)
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472782
PNG
(US10829493, Example 8)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(CC2COC2)c1 |r|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,23-2-4-25(30)5-3-23)24-12-32-28(33-13-24)38-8-6-37(7-9-38)27-26-10-21(16-40(26)36-19-34-27)22-11-35-39(15-22)14-20-17-41-18-20/h2-5,10-13,15-16,19-20H,6-9,14,17-18,31H2,1H3/t29-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472783
PNG
(US10829493, Example 9)
Show SMILES C[C@H](O)Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H31FN10O/c1-19(40)15-38-16-21(12-34-38)20-11-25-26(33-18-35-39(25)17-20)36-7-9-37(10-8-36)27-31-13-23(14-32-27)28(2,30)22-3-5-24(29)6-4-22/h3-6,11-14,16-19,40H,7-10,15,30H2,1-2H3/t19-,28-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472784
PNG
(US10829493, Example 10)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)C1C[C@H](O)C1 |r,wU:1.0,38.44,wD:1.1,(2.18,-6.48,;3.27,-5.39,;1.78,-4.99,;4.6,-6.16,;4.6,-7.7,;5.93,-8.47,;7.27,-7.7,;8.6,-8.47,;7.27,-6.16,;5.93,-5.39,;3.27,-3.85,;1.93,-3.08,;1.93,-1.54,;3.27,-.77,;4.6,-1.54,;4.6,-3.08,;3.27,.77,;1.93,1.54,;1.93,3.08,;3.27,3.85,;4.6,3.08,;4.6,1.54,;3.27,5.39,;4.6,6.16,;4.6,7.7,;3.27,8.47,;1.93,7.7,;.47,8.18,;-.44,6.93,;.47,5.68,;1.93,6.16,;-1.98,6.93,;-2.88,8.18,;-4.35,7.7,;-4.35,6.16,;-2.88,5.68,;-5.59,5.25,;-7.11,5.5,;-7.36,3.97,;-8.6,3.07,;-5.83,3.73,)|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,21-2-4-23(30)5-3-21)22-14-32-28(33-15-22)38-8-6-37(7-9-38)27-26-10-19(16-40(26)36-18-34-27)20-13-35-39(17-20)24-11-25(41)12-24/h2-5,10,13-18,24-25,41H,6-9,11-12,31H2,1H3/t24?,25-,29-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472785
PNG
(US10829493, Example 11)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)C1C[C@H](O)C1 |r,wU:1.0,wD:1.1,38.44,(2.18,-6.48,;3.27,-5.39,;1.78,-4.99,;4.6,-6.16,;4.6,-7.7,;5.93,-8.47,;7.27,-7.7,;8.6,-8.47,;7.27,-6.16,;5.93,-5.39,;3.27,-3.85,;1.93,-3.08,;1.93,-1.54,;3.27,-.77,;4.6,-1.54,;4.6,-3.08,;3.27,.77,;1.93,1.54,;1.93,3.08,;3.27,3.85,;4.6,3.08,;4.6,1.54,;3.27,5.39,;4.6,6.16,;4.6,7.7,;3.27,8.47,;1.93,7.7,;.47,8.18,;-.44,6.93,;.47,5.68,;1.93,6.16,;-1.98,6.93,;-2.88,8.18,;-4.35,7.7,;-4.35,6.16,;-2.88,5.68,;-5.59,5.25,;-5.83,3.73,;-7.36,3.97,;-8.6,3.07,;-7.11,5.5,)|
Show InChI InChI=1S/C29H31FN10O/c1-29(31,21-2-4-23(30)5-3-21)22-14-32-28(33-15-22)38-8-6-37(7-9-38)27-26-10-19(16-40(26)36-18-34-27)20-13-35-39(17-20)24-11-25(41)12-24/h2-5,10,13-18,24-25,41H,6-9,11-12,31H2,1H3/t24?,25-,29-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM472786
PNG
(US10829493, Example 12)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(CC2(O)CC2)c1 |r|
Show InChI InChI=1S/C29H31FN10O/c1-28(31,22-2-4-24(30)5-3-22)23-14-32-27(33-15-23)38-10-8-37(9-11-38)26-25-12-20(17-40(25)36-19-34-26)21-13-35-39(16-21)18-29(41)6-7-29/h2-5,12-17,19,41H,6-11,18,31H2,1H3/t28-/m0/s1
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Blueprint Medicines Corporation

US Patent


Assay Description
KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 μL of bu...


US Patent US10829493 (2020)


BindingDB Entry DOI: 10.7270/Q2MP56BZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191974
PNG
(CHEMBL3913766)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cnn(C)c2)c1
Show InChI InChI=1S/C31H31FN8O2/c1-37-11-13-39(14-12-37)27-6-4-3-5-23(27)17-34-30(41)22-7-8-25(32)26(15-22)36-31(42)28-19-33-29-16-21(9-10-40(28)29)24-18-35-38(2)20-24/h3-10,15-16,18-20H,11-14,17H2,1-2H3,(H,34,41)(H,36,42)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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TBA

Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Eur J Med Chem 141: 657-675 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.003
BindingDB Entry DOI: 10.7270/Q2CV4M86
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191975
PNG
(CHEMBL3975580)
Show SMILES Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCC1CCC(C)(C)O1
Show InChI InChI=1S/C26H27FN6O3/c1-26(2)9-6-18(36-26)14-29-24(34)17-4-5-19(27)20(12-17)31-25(35)22-15-28-23-13-16(8-11-33(22)23)21-7-10-30-32(21)3/h4-5,7-8,10-13,15,18H,6,9,14H2,1-3H3,(H,29,34)(H,31,35)
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Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDGFRA (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 6...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113327
BindingDB Entry DOI: 10.7270/Q2KP85X0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM106562
PNG
(US8586600, III-14)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF3N6O2/c1-15-4-5-16(11-22(15)36-25-32-10-8-20(35-25)17-3-2-9-31-14-17)24(38)33-18-6-7-21(34-23(37)13-27)19(12-18)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,38)(H,34,37)(H,32,35,36)
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n/an/a 0.730n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191946
PNG
(CHEMBL3950278)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1
Show InChI InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42)
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n/an/a 0.75n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a 0.793n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50191980
PNG
(CHEMBL3985689)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(ccc23)-c2ccnn2C)c1
Show InChI InChI=1S/C31H33N9O2/c1-21-26(36-31(42)25-19-35-40-20-23(8-9-29(25)40)27-10-11-34-38(27)3)16-24(18-32-21)30(41)33-17-22-6-4-5-7-28(22)39-14-12-37(2)13-15-39/h4-11,16,18-20H,12-15,17H2,1-3H3,(H,33,41)(H,36,42)
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n/an/a 0.960n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 0.980n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM504397
PNG
((S)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyr...)
Show SMILES Cn1cc(cn1)-c1cc2c(ccnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
KIT, KIT mutant, and PDGFRα mutant kinase profiling was performed with recombinant enzymes including wild-type KIT, KIT V560G, KIT V559D/T670I, ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q52SR0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a<1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
BindingDB Entry DOI: 10.7270/Q2RV0QB7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50389975
PNG
(CHEMBL2071201)
Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|
Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha by TR-FRET analysis


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM469260
PNG
(US10807985, Compound 35)
Show SMILES CCn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N10/c1-3-36-17-21(14-32-36)20-13-24-25(31-19-33-37(24)18-20)34-9-11-35(12-10-34)26-29-15-23(16-30-26)27(2,28)22-7-5-4-6-8-22/h4-8,13-19H,3,9-12,28H2,1-2H3/t27-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
In each well of a 384-well plate, 0.7 ng/ul (8 nM) of PDGFRA D842V (ProQinase 0761-0000-1) was incubated in a total of 12.5 ul of buffer (100 mM HEPE...


US Patent US10807985 (2020)


BindingDB Entry DOI: 10.7270/Q2F76GNN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM469259
PNG
(US10807985, Compound 34)
Show SMILES C[C@](N)(c1ccccc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H27FN8/c1-28(30,22-5-3-2-4-6-22)23-16-31-27(32-17-23)36-13-11-35(12-14-36)26-25-15-21(18-37(25)34-19-33-26)20-7-9-24(29)10-8-20/h2-10,15-19H,11-14,30H2,1H3/t28-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
In each well of a 384-well plate, 0.7 ng/ul (8 nM) of PDGFRA D842V (ProQinase 0761-0000-1) was incubated in a total of 12.5 ul of buffer (100 mM HEPE...


US Patent US10807985 (2020)


BindingDB Entry DOI: 10.7270/Q2F76GNN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM469255
PNG
(US10807985, Compound 30)
Show SMILES C[C@](O)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cn[nH]c1 |r|
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n/an/a<1n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
In each well of a 384-well plate, 0.7 ng/ul (8 nM) of PDGFRA D842V (ProQinase 0761-0000-1) was incubated in a total of 12.5 ul of buffer (100 mM HEPE...


US Patent US10807985 (2020)


BindingDB Entry DOI: 10.7270/Q2F76GNN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM469251
PNG
(US10807985, Compound 26)
Show SMILES C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cn[nH]c1 |r|
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n/an/a<1n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
In each well of a 384-well plate, 0.7 ng/ul (8 nM) of PDGFRA D842V (ProQinase 0761-0000-1) was incubated in a total of 12.5 ul of buffer (100 mM HEPE...


US Patent US10807985 (2020)


BindingDB Entry DOI: 10.7270/Q2F76GNN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha [D842V]


(Homo sapiens (Human))
BDBM469247
PNG
(US10807985, Compound 22)
Show SMILES Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccccc1 |r|
Show InChI InChI=1S/C26H28N10/c1-26(27,21-6-4-3-5-7-21)22-14-28-25(29-15-22)35-10-8-34(9-11-35)24-23-12-19(17-36(23)32-18-30-24)20-13-31-33(2)16-20/h3-7,12-18H,8-11,27H2,1-2H3/t26-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Blueprint Medicines Corporation

US Patent


Assay Description
In each well of a 384-well plate, 0.7 ng/ul (8 nM) of PDGFRA D842V (ProQinase 0761-0000-1) was incubated in a total of 12.5 ul of buffer (100 mM HEPE...


US Patent US10807985 (2020)


BindingDB Entry DOI: 10.7270/Q2F76GNN
More data for this
Ligand-Target Pair
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