Found 620 hits with Last Name = 'ruggeri' and Initial = 'ba' 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 |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50379186
(CEP-11981 | CHEMBL2010872)Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12 Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of adenosine A2A receptor |
J Med Chem 55: 903-13 (2012)
Article DOI: 10.1021/jm201449n BindingDB Entry DOI: 10.7270/Q2ZS2XHW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50379186
(CEP-11981 | CHEMBL2010872)Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12 Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of muscarinic M4 receptor |
J Med Chem 55: 903-13 (2012)
Article DOI: 10.1021/jm201449n BindingDB Entry DOI: 10.7270/Q2ZS2XHW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99619
(CHEMBL2062807 | US8501936, 120)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12 Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99563
(CHEMBL2062809 | US8501936, 61)Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99529
(CHEMBL2062802 | US8501936, 27)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12 Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50389186
(CHEMBL2062803 | US8501936, 4)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236262
(7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-propyl-...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC Show InChI InChI=1S/C26H27N5O2/c1-5-10-31-21-9-6-15(14(2)29-33-4)11-17(21)23-18-12-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)13-30(3)28-20/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,27,32)/b29-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236260
(7-[(1E)-1-(hydroxyimino)ethyl]-19-methyl-3,13,19,2...)Show SMILES CC(N=O)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C22H19N5O2/c1-10(26-29)11-3-5-16-13(7-11)19-14-8-23-22(28)20(14)18-12(21(19)24-16)4-6-17-15(18)9-27(2)25-17/h3,5,7,9-10,24H,4,6,8H2,1-2H3,(H,23,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385593
(CHEMBL2042694)Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236266
(7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3,13,19,2...)Show SMILES CO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C23H21N5O2/c1-11(27-30-3)12-4-6-17-14(8-12)20-15-9-24-23(29)21(15)19-13(22(20)25-17)5-7-18-16(19)10-28(2)26-18/h4,6,8,10,25H,5,7,9H2,1-3H3,(H,24,29)/b27-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236262
(7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-propyl-...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC Show InChI InChI=1S/C26H27N5O2/c1-5-10-31-21-9-6-15(14(2)29-33-4)11-17(21)23-18-12-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)13-30(3)28-20/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,27,32)/b29-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99559
(CHEMBL2062808 | US8501936, 57)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99555
(CHEMBL2062810 | US8501936, 53)Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.27 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99611
(CHEMBL2062801 | US8501936, 112)Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99542
(CHEMBL2062798 | US8501936, 40)Show SMILES COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99560
(CHEMBL2062529 | US8501936, 58)Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H35N7O2S/c1-33-17-19-35(20-18-33)24-12-15-34(16-13-24)25-6-3-5-23(21-25)30-29-31-28-27(7-4-14-36(28)32-29)22-8-10-26(11-9-22)39(2,37)38/h3-11,14,21,24H,12-13,15-20H2,1-2H3,(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193812
(CHEMBL3908493)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50389176
(CHEMBL2062796)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccccc3)nc12 Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-11-9-14(10-12-16)17-8-5-13-23-18(17)21-19(22-23)20-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50136008
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase 3) receptor |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641 BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99537
(CHEMBL2062804 | US8501936, 35)Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236246
(7-[(1E)-1-(ethoxyimino)ethyl]-19-methyl-3,13,19,20...)Show SMILES CCO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C24H23N5O2/c1-4-31-28-12(2)13-5-7-18-15(9-13)21-16-10-25-24(30)22(16)20-14(23(21)26-18)6-8-19-17(20)11-29(3)27-19/h5,7,9,11,26H,4,6,8,10H2,1-3H3,(H,25,30)/b28-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50236270
(1-(4-(4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2c(F)cccc2C(F)(F)F)cc1 Show InChI InChI=1S/C27H19F4N5O3/c1-38-17-11-7-15(8-12-17)23-20(21-24(32)33-13-34-25(21)39-23)14-5-9-16(10-6-14)35-26(37)36-22-18(27(29,30)31)3-2-4-19(22)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TIE2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236263
(19-methyl-7-[(1E)-1-[(2-methylpropoxy)imino]ethyl]...)Show SMILES CC(C)CO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H33N5O2/c1-15(2)14-36-32-17(5)18-7-10-24-20(11-18)26-21-12-30-29(35)27(21)25-19(28(26)34(24)16(3)4)8-9-23-22(25)13-33(6)31-23/h7,10-11,13,15-16H,8-9,12,14H2,1-6H3,(H,30,35)/b32-17+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385602
(CHEMBL2042983)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236270
(1-(4-(4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2c(F)cccc2C(F)(F)F)cc1 Show InChI InChI=1S/C27H19F4N5O3/c1-38-17-11-7-15(8-12-17)23-20(21-24(32)33-13-34-25(21)39-23)14-5-9-16(10-6-14)35-26(37)36-22-18(27(29,30)31)3-2-4-19(22)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101810
(CHEMBL3398166)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCN(C)C[C@@H]1O |r| Show InChI InChI=1S/C26H29N5O4/c1-30-13-12-26(33,24(32)16-30)17-8-10-20(23(14-17)35-3)28-25-27-15-18-9-11-21(31(18)29-25)19-6-4-5-7-22(19)34-2/h4-11,14-15,24,32-33H,12-13,16H2,1-3H3,(H,28,29)/t24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019 BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99534
(CHEMBL2062805 | US8501936, 32)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-9-7-19(8-10-20)25-24-26-23-22(4-3-13-30(23)27-24)18-5-11-21(12-6-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99521
(CHEMBL2062799 | US8501936, 19)Show SMILES COc1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O3S/c1-27-16-9-7-15(8-10-16)21-20-22-19-18(4-3-13-24(19)23-20)14-5-11-17(12-6-14)28(2,25)26/h3-13H,1-2H3,(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236264
(19-methyl-7-[(1E)-1-[(propan-2-yloxy)imino]ethyl]-...)Show SMILES CC(C)O\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H25N5O2/c1-12(2)32-29-13(3)14-5-7-19-16(9-14)22-17-10-26-25(31)23(17)21-15(24(22)27-19)6-8-20-18(21)11-30(4)28-20/h5,7,9,11-12,27H,6,8,10H2,1-4H3,(H,26,31)/b29-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by HTRF assay |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50389203
(CHEMBL2062813 | US8501936, 198)Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1 Show InChI InChI=1S/C25H29N6OP/c1-29-14-16-30(17-15-29)21-7-4-6-20(18-21)26-25-27-24-23(8-5-13-31(24)28-25)19-9-11-22(12-10-19)33(2,3)32/h4-13,18H,14-17H2,1-3H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318959
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021 BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50318946
(CHEMBL1085293 | rac-9-(2-hydroxyethyl)-5-methyl-12...)Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCO)c3ccc(cc23)C2CCCCO2)n1 Show InChI InChI=1S/C27H28N4O3/c1-30-14-19-20(29-30)7-6-16-23(19)25-18(13-28-27(25)33)24-17-12-15(22-4-2-3-11-34-22)5-8-21(17)31(9-10-32)26(16)24/h5,8,12,14,22,32H,2-4,6-7,9-11,13H2,1H3,(H,28,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021 BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50236259
(3-ethyl-19-methyl-7-[(1E)-1-[(2-methylpropoxy)imin...)Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OCC(C)C Show InChI InChI=1S/C28H31N5O2/c1-6-33-23-10-7-17(16(4)31-35-14-15(2)3)11-19(23)25-20-12-29-28(34)26(20)24-18(27(25)33)8-9-22-21(24)13-32(5)30-22/h7,10-11,13,15H,6,8-9,12,14H2,1-5H3,(H,29,34)/b31-16+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control |
Bioorg Med Chem Lett 18: 1916-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.001 BindingDB Entry DOI: 10.7270/Q27M07PV |
More data for this Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50318963
(CHEMBL1084061 | rac-5-methyl-9-propyl-12-(tetrahyd...)Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1 Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h7,10,13,15,23H,3-6,8-9,11-12,14H2,1-2H3,(H,29,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements |
Bioorg Med Chem Lett 20: 3356-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.021 BindingDB Entry DOI: 10.7270/Q2HT2PH9 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50379196
(CHEMBL2010870)Show SMILES CC(C)n1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12 Show InChI InChI=1S/C27H25N7O/c1-14(2)34-21-8-5-15(31-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(35)24(18)22-16(25(23)34)6-7-20-19(22)13-33(3)32-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,35)(H,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore... |
J Med Chem 55: 903-13 (2012)
Article DOI: 10.1021/jm201449n BindingDB Entry DOI: 10.7270/Q2ZS2XHW |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101805
(CHEMBL3398172)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019 BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101803
(CHEMBL3398174)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CCO)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019 BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50379186
(CEP-11981 | CHEMBL2010872)Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12 Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human VEGFR1 using ATP as substrate |
J Med Chem 55: 903-13 (2012)
Article DOI: 10.1021/jm201449n BindingDB Entry DOI: 10.7270/Q2ZS2XHW |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50379186
(CEP-11981 | CHEMBL2010872)Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12 Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human TRK-A using ATP as substrate |
J Med Chem 55: 903-13 (2012)
Article DOI: 10.1021/jm201449n BindingDB Entry DOI: 10.7270/Q2ZS2XHW |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99615
(CHEMBL2062806 | US8501936, 116)Show SMILES CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C25H28N6O2S/c1-29-13-15-30(16-14-29)18-19-5-3-6-21(17-19)26-25-27-24-23(7-4-12-31(24)28-25)20-8-10-22(11-9-20)34(2,32)33/h3-12,17H,13-16,18H2,1-2H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft... |
J Med Chem 55: 5243-54 (2012)
Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ |
More data for this Ligand-Target Pair | |