Found 523 hits with Last Name = 'casavant' and Initial = 'jm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137174
((1H-Indol-5-yl)-(6-thiophen-2-yl-thieno[3,2-d]pyri...)Show InChI InChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22) | PDB
MMDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137174
((1H-Indol-5-yl)-(6-thiophen-2-yl-thieno[3,2-d]pyri...)Show InChI InChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137175
(2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidi...)Show SMILES CC(C)(CO)NCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H25N5OS/c1-25(2,14-31)29-13-16-3-5-17(6-4-16)22-12-21-23(32-22)24(28-15-27-21)30-19-7-8-20-18(11-19)9-10-26-20/h3-12,15,26,29,31H,13-14H2,1-2H3,(H,27,28,30) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137190
((1H-Indol-5-yl)-(2-thiophen-2-yl-thieno[3,2-b]pyri...)Show InChI InChI=1S/C19H13N3S2/c1-2-17(23-9-1)18-11-16-19(24-18)15(6-8-21-16)22-13-3-4-14-12(10-13)5-7-20-14/h1-11,20H,(H,21,22) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137175
(2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidi...)Show SMILES CC(C)(CO)NCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H25N5OS/c1-25(2,14-31)29-13-16-3-5-17(6-4-16)22-12-21-23(32-22)24(28-15-27-21)30-19-7-8-20-18(11-19)9-10-26-20/h3-12,15,26,29,31H,13-14H2,1-2H3,(H,27,28,30) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137195
(CHEMBL312753 | {4-[4-(1H-Indol-5-ylamino)-thieno[3...)Show SMILES OCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C21H16N4OS/c26-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(24-12-23-18)25-16-5-6-17-15(9-16)7-8-22-17/h1-10,12,22,26H,11H2,(H,23,24,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137199
(1-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-...)Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)CC1 Show InChI InChI=1S/C28H27N5OS/c29-28(34)20-9-13-33(14-10-20)17-18-1-3-19(4-2-18)26-16-25-27(35-26)24(8-12-31-25)32-22-5-6-23-21(15-22)7-11-30-23/h1-8,11-12,15-16,20,30H,9-10,13-14,17H2,(H2,29,34)(H,31,32) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137193
(CHEMBL79215 | N*4*-(1H-Indol-5-yl)-N*6*-(2-phenyla...)Show SMILES C(CN(c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1)n1cccc1)Nc1ccccc1 Show InChI InChI=1S/C26H23N7S/c1-2-6-20(7-3-1)27-12-15-33(32-13-4-5-14-32)24-17-23-25(34-24)26(30-18-29-23)31-21-8-9-22-19(16-21)10-11-28-22/h1-11,13-14,16-18,27-28H,12,15H2,(H,29,30,31) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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Article
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332622
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r| Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137208
(1-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidi...)Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)CC1 Show InChI InChI=1S/C27H26N6OS/c28-26(34)19-8-11-33(12-9-19)15-17-1-3-18(4-2-17)24-14-23-25(35-24)27(31-16-30-23)32-21-5-6-22-20(13-21)7-10-29-22/h1-7,10,13-14,16,19,29H,8-9,11-12,15H2,(H2,28,34)(H,30,31,32) | PDB
MMDB
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PC sid
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137194
(2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-...)Show SMILES OCCNCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C24H22N4OS/c29-12-11-25-15-16-1-3-17(4-2-16)23-14-22-24(30-23)21(8-10-27-22)28-19-5-6-20-18(13-19)7-9-26-20/h1-10,13-14,25-26,29H,11-12,15H2,(H,27,28) | PDB
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PC cid
PC sid
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137177
(CHEMBL418909 | N-(2-{4-[7-(1H-Indol-5-ylamino)-thi...)Show SMILES CC(=O)NCCNCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C26H25N5OS/c1-17(32)28-13-12-27-16-18-2-4-19(5-3-18)25-15-24-26(33-25)23(9-11-30-24)31-21-6-7-22-20(14-21)8-10-29-22/h2-11,14-15,27,29H,12-13,16H2,1H3,(H,28,32)(H,30,31) | PDB
MMDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137198
(2-({4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin...)Show SMILES CN(CCO)Cc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H24N4OS/c1-29(12-13-30)16-17-2-4-18(5-3-17)24-15-23-25(31-24)22(9-11-27-23)28-20-6-7-21-19(14-20)8-10-26-21/h2-11,14-15,26,30H,12-13,16H2,1H3,(H,27,28) | PDB
MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243852
(CHEMBL4103698)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)| Show InChI InChI=1S/C17H18FN5O2S/c1-23(17-15-6-7-19-16(15)20-10-21-17)13-8-12(9-13)22-26(24,25)14-4-2-11(18)3-5-14/h2-7,10,12-13,22H,8-9H2,1H3,(H,19,20,21)/t12-,13+ | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137206
((2-Methyl-1H-indol-5-yl)-(2-{4-[(2-pyridin-1-yl-et...)Show SMILES Cc1cc2cc(Nc3ccnc4cc(sc34)-c3ccc(CNCCN4CCNCC4)cc3)ccc2[nH]1 Show InChI InChI=1S/C29H32N6S/c1-20-16-23-17-24(6-7-25(23)33-20)34-26-8-9-32-27-18-28(36-29(26)27)22-4-2-21(3-5-22)19-31-12-15-35-13-10-30-11-14-35/h2-9,16-18,30-31,33H,10-15,19H2,1H3,(H,32,34) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137202
(2-(Methyl-{4-[7-(2-methyl-1H-indol-5-ylamino)-thie...)Show SMILES CN(CCO)Cc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]c(C)cc4c3)c2s1 Show InChI InChI=1S/C26H26N4OS/c1-17-13-20-14-21(7-8-22(20)28-17)29-23-9-10-27-24-15-25(32-26(23)24)19-5-3-18(4-6-19)16-30(2)11-12-31/h3-10,13-15,28,31H,11-12,16H2,1-2H3,(H,27,29) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137203
((1H-Indol-5-yl)-(2-{4-[(2-pyridin-1-yl-ethylamino)...)Show SMILES C(CN1CCNCC1)NCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C28H30N6S/c1-3-21(4-2-20(1)19-30-13-16-34-14-11-29-12-15-34)27-18-26-28(35-27)25(8-10-32-26)33-23-5-6-24-22(17-23)7-9-31-24/h1-10,17-18,29-31H,11-16,19H2,(H,32,33) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332622
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r| Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137192
(2-(2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyrid...)Show SMILES OCCOCCNCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C26H26N4O2S/c31-12-14-32-13-11-27-17-18-1-3-19(4-2-18)25-16-24-26(33-25)23(8-10-29-24)30-21-5-6-22-20(15-21)7-9-28-22/h1-10,15-16,27-28,31H,11-14,17H2,(H,29,30) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50021656
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137173
(CHEMBL312818 | N*6*-Imidazol-1-yl-N*4*-(1H-indol-5...)Show SMILES C(CN(c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1)n1ccnc1)Cc1ccccc1 Show InChI InChI=1S/C26H23N7S/c1-2-5-19(6-3-1)7-4-13-33(32-14-12-27-18-32)24-16-23-25(34-24)26(30-17-29-23)31-21-8-9-22-20(15-21)10-11-28-22/h1-3,5-6,8-12,14-18,28H,4,7,13H2,(H,29,30,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137173
(CHEMBL312818 | N*6*-Imidazol-1-yl-N*4*-(1H-indol-5...)Show SMILES C(CN(c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1)n1ccnc1)Cc1ccccc1 Show InChI InChI=1S/C26H23N7S/c1-2-5-19(6-3-1)7-4-13-33(32-14-12-27-18-32)24-16-23-25(34-24)26(30-17-29-23)31-21-8-9-22-20(15-21)10-11-28-22/h1-3,5-6,8-12,14-18,28H,4,7,13H2,(H,29,30,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137210
(3-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-...)Show SMILES OCCCNCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H24N4OS/c30-13-1-10-26-16-17-2-4-18(5-3-17)24-15-23-25(31-24)22(9-12-28-23)29-20-6-7-21-19(14-20)8-11-27-21/h2-9,11-12,14-15,26-27,30H,1,10,13,16H2,(H,28,29) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137200
(CHEMBL78018 | [6-(4-Aminomethyl-phenyl)-thieno[3,2...)Show SMILES NCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C21H17N5S/c22-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(25-12-24-18)26-16-5-6-17-15(9-16)7-8-23-17/h1-10,12,23H,11,22H2,(H,24,25,26) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137184
(2-{4-[7-(2-Methyl-1H-indol-5-ylamino)-thieno[3,2-b...)Show SMILES Cc1cc2cc(Nc3ccnc4cc(sc34)-c3ccc(CNCCO)cc3)ccc2[nH]1 Show InChI InChI=1S/C25H24N4OS/c1-16-12-19-13-20(6-7-21(19)28-16)29-22-8-9-27-23-14-24(31-25(22)23)18-4-2-17(3-5-18)15-26-10-11-30/h2-9,12-14,26,28,30H,10-11,15H2,1H3,(H,27,29) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137192
(2-(2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyrid...)Show SMILES OCCOCCNCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C26H26N4O2S/c31-12-14-32-13-11-27-17-18-1-3-19(4-2-18)25-16-24-26(33-25)23(8-10-29-24)30-21-5-6-22-20(15-21)7-9-28-22/h1-10,15-16,27-28,31H,11-14,17H2,(H,29,30) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137198
(2-({4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin...)Show SMILES CN(CCO)Cc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H24N4OS/c1-29(12-13-30)16-17-2-4-18(5-3-17)24-15-23-25(31-24)22(9-11-27-23)28-20-6-7-21-19(14-20)8-10-26-21/h2-11,14-15,26,30H,12-13,16H2,1H3,(H,27,28) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137205
(CHEMBL80809 | N-(2-{4-[4-(1H-Indol-5-ylamino)-thie...)Show SMILES CC(=O)NCCNCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H24N6OS/c1-16(32)27-11-10-26-14-17-2-4-18(5-3-17)23-13-22-24(33-23)25(30-15-29-22)31-20-6-7-21-19(12-20)8-9-28-21/h2-9,12-13,15,26,28H,10-11,14H2,1H3,(H,27,32)(H,29,30,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243810
(CHEMBL4093955)Show SMILES CN(CC1CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.15,10.10,(14.93,-10.76,;14.93,-12.3,;16.27,-13.08,;17.6,-12.32,;19.14,-12.32,;18.38,-10.98,;13.59,-13.07,;14.35,-14.4,;12.82,-14.39,;12.26,-12.31,;10.93,-13.08,;9.44,-12.69,;9.05,-14.18,;10.53,-14.57,;7.72,-14.96,;6.38,-14.19,;7.72,-16.5,;6.39,-17.27,;6.39,-18.81,;7.72,-19.58,;9.06,-18.8,;10.53,-19.27,;11.43,-18.02,;10.52,-16.78,;9.06,-17.26,)| Show InChI InChI=1S/C17H25N5O2S/c1-21(9-12-3-4-12)25(23,24)10-13-7-14(8-13)22(2)17-15-5-6-18-16(15)19-11-20-17/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,18,19,20)/t13-,14+ | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human AchE (Acetylcholinesterase) |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137173
(CHEMBL312818 | N*6*-Imidazol-1-yl-N*4*-(1H-indol-5...)Show SMILES C(CN(c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1)n1ccnc1)Cc1ccccc1 Show InChI InChI=1S/C26H23N7S/c1-2-5-19(6-3-1)7-4-13-33(32-14-12-27-18-32)24-16-23-25(34-24)26(30-17-29-23)31-21-8-9-22-20(15-21)10-11-28-22/h1-3,5-6,8-12,14-18,28H,4,7,13H2,(H,29,30,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137173
(CHEMBL312818 | N*6*-Imidazol-1-yl-N*4*-(1H-indol-5...)Show SMILES C(CN(c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1)n1ccnc1)Cc1ccccc1 Show InChI InChI=1S/C26H23N7S/c1-2-5-19(6-3-1)7-4-13-33(32-14-12-27-18-32)24-16-23-25(34-24)26(30-17-29-23)31-21-8-9-22-20(15-21)10-11-28-22/h1-3,5-6,8-12,14-18,28H,4,7,13H2,(H,29,30,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137172
(3-{4-[7-(2-Methyl-1H-indol-5-ylamino)-thieno[3,2-b...)Show SMILES Cc1cc2cc(Nc3ccnc4cc(sc34)-c3ccc(CNCCCO)cc3)ccc2[nH]1 Show InChI InChI=1S/C26H26N4OS/c1-17-13-20-14-21(7-8-22(20)29-17)30-23-9-11-28-24-15-25(32-26(23)24)19-5-3-18(4-6-19)16-27-10-2-12-31/h3-9,11,13-15,27,29,31H,2,10,12,16H2,1H3,(H,28,30) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137181
((2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethy...)Show SMILES Cc1cc2cc(Nc3ccnc4cc(sc34)-c3ccc(CN4CCOCC4)cc3)ccc2[nH]1 Show InChI InChI=1S/C27H26N4OS/c1-18-14-21-15-22(6-7-23(21)29-18)30-24-8-9-28-25-16-26(33-27(24)25)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,14-16,29H,10-13,17H2,1H3,(H,28,30) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137187
((1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)...)Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C26H24N4OS/c1-3-19(4-2-18(1)17-30-11-13-31-14-12-30)25-16-24-26(32-25)23(8-10-28-24)29-21-5-6-22-20(15-21)7-9-27-22/h1-10,15-16,27H,11-14,17H2,(H,28,29) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137201
(CHEMBL77782 | {6-[4-(2-Dimethylamino-ethyl)-phenyl...)Show SMILES CN(C)CCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C24H23N5S/c1-29(2)12-10-16-3-5-17(6-4-16)22-14-21-23(30-22)24(27-15-26-21)28-19-7-8-20-18(13-19)9-11-25-20/h3-9,11,13-15,25H,10,12H2,1-2H3,(H,26,27,28) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137183
((3-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]py...)Show SMILES Cc1c[nH]c2ccc(Nc3ncnc4cc(sc34)-c3ccccc3)cc12 Show InChI InChI=1S/C21H16N4S/c1-13-11-22-17-8-7-15(9-16(13)17)25-21-20-18(23-12-24-21)10-19(26-20)14-5-3-2-4-6-14/h2-12,22H,1H3,(H,23,24,25) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137205
(CHEMBL80809 | N-(2-{4-[4-(1H-Indol-5-ylamino)-thie...)Show SMILES CC(=O)NCCNCc1ccc(cc1)-c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C25H24N6OS/c1-16(32)27-11-10-26-14-17-2-4-18(5-3-17)23-13-22-24(33-23)25(30-15-29-22)31-20-6-7-21-19(12-20)8-9-28-21/h2-9,12-13,15,26,28H,10-11,14H2,1H3,(H,27,32)(H,29,30,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137179
(2-(2-{4-[7-(2-Methyl-1H-indol-5-ylamino)-thieno[3,...)Show SMILES Cc1cc2cc(Nc3ccnc4cc(sc34)-c3ccc(CNCCOCCO)cc3)ccc2[nH]1 Show InChI InChI=1S/C27H28N4O2S/c1-18-14-21-15-22(6-7-23(21)30-18)31-24-8-9-29-25-16-26(34-27(24)25)20-4-2-19(3-5-20)17-28-10-12-33-13-11-32/h2-9,14-16,28,30,32H,10-13,17H2,1H3,(H,29,31) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137194
(2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-...)Show SMILES OCCNCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C24H22N4OS/c29-12-11-25-15-16-1-3-17(4-2-16)23-14-22-24(30-23)21(8-10-27-22)28-19-5-6-20-18(13-19)7-9-26-20/h1-10,13-14,25-26,29H,11-12,15H2,(H,27,28) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243869
(CHEMBL4101374)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccccc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(4.65,-10.97,;5.99,-11.74,;7.32,-10.96,;7.71,-9.46,;9.2,-9.86,;8.81,-11.35,;10.53,-9.08,;11.86,-9.85,;12.62,-11.18,;11.09,-11.17,;13.2,-9.08,;14.53,-9.85,;15.86,-9.08,;15.86,-7.53,;14.51,-6.77,;13.19,-7.55,;5.99,-13.28,;4.66,-14.05,;4.66,-15.59,;6,-16.36,;7.34,-15.58,;8.81,-16.05,;9.71,-14.8,;8.79,-13.55,;7.33,-14.04,)| Show InChI InChI=1S/C17H19N5O2S/c1-22(17-15-7-8-18-16(15)19-11-20-17)13-9-12(10-13)21-25(23,24)14-5-3-2-4-6-14/h2-8,11-13,21H,9-10H2,1H3,(H,18,19,20)/t12-,13+ | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50021656
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) | PDB
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Article
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50137208
(1-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidi...)Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)CC1 Show InChI InChI=1S/C27H26N6OS/c28-26(34)19-8-11-33(12-9-19)15-17-1-3-18(4-2-17)24-14-23-25(35-24)27(31-16-30-23)32-21-5-6-22-20(13-21)7-10-29-22/h1-7,10,13-14,16,19,29H,8-9,11-12,15H2,(H2,28,34)(H,30,31,32) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against epidermal growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50137203
((1H-Indol-5-yl)-(2-{4-[(2-pyridin-1-yl-ethylamino)...)Show SMILES C(CN1CCNCC1)NCc1ccc(cc1)-c1cc2nccc(Nc3ccc4[nH]ccc4c3)c2s1 Show InChI InChI=1S/C28H30N6S/c1-3-21(4-2-20(1)19-30-13-16-34-14-11-29-12-15-34)27-18-26-28(35-27)25(8-10-32-26)33-23-5-6-24-22(17-23)7-9-31-24/h1-10,17-18,29-31H,11-16,19H2,(H,32,33) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor |
Bioorg Med Chem Lett 14: 21-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FT8KFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243837
(CHEMBL4079179)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.04,-12.03,;7.37,-12.79,;8.7,-12.02,;9.1,-10.52,;10.58,-10.92,;10.19,-12.41,;11.92,-10.14,;13.24,-10.9,;14.01,-12.23,;12.47,-12.23,;14.58,-10.13,;15.92,-10.91,;17.25,-10.14,;18.58,-10.91,;19.92,-10.14,;18.58,-12.45,;19.91,-11.68,;7.38,-14.33,;6.05,-15.1,;6.05,-16.65,;7.38,-17.42,;8.72,-16.64,;10.19,-17.11,;11.09,-15.85,;10.18,-14.61,;8.71,-15.1,)| Show InChI InChI=1S/C15H20F3N5O2S/c1-23(14-12-3-5-19-13(12)20-9-21-14)11-7-10(8-11)22-26(24,25)6-2-4-15(16,17)18/h3,5,9-11,22H,2,4,6-8H2,1H3,(H,19,20,21)/t10-,11+ | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair | |
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