Found 100 hits with Last Name = 'fantino' and Initial = 'e' 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 JAK2
(Homo sapiens (Human)) | BDBM50311010
(CHEMBL1078889 | N-(4-{2-[4-(1,1-Dioxo-1lambda*6*-t...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 Show InChI InChI=1S/C22H25N5O4S2/c1-32(28,29)26-20-8-4-18(5-9-20)21-10-11-23-22(25-21)24-19-6-2-17(3-7-19)16-27-12-14-33(30,31)15-13-27/h2-11,26H,12-16H2,1H3,(H,23,24,25) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27634
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cc(C)ccc2F)c1 |r| Show InChI InChI=1S/C20H18ClFN4O/c1-12-6-7-17(22)16(8-12)20(27)25-15-5-3-4-14(9-15)13(2)24-19-11-23-10-18(21)26-19/h3-11,13H,1-2H3,(H,24,26)(H,25,27)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27633
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccc(C)c2)c1 |r| Show InChI InChI=1S/C20H19ClN4O/c1-13-5-3-7-16(9-13)20(26)24-17-8-4-6-15(10-17)14(2)23-19-12-22-11-18(21)25-19/h3-12,14H,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311001
(2-methoxy-4-(2-(4-morpholinophenylamino)pyrimidin-...)Show SMILES COc1cc(ccc1O)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H22N4O3/c1-27-20-14-15(2-7-19(20)26)18-8-9-22-21(24-18)23-16-3-5-17(6-4-16)25-10-12-28-13-11-25/h2-9,14,26H,10-13H2,1H3,(H,22,23,24) | PDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311011
(CHEMBL1079077 | N-(4-(2-(4-morpholinophenylamino)p...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H23N5O3S/c1-30(27,28)25-18-4-2-16(3-5-18)20-10-11-22-21(24-20)23-17-6-8-19(9-7-17)26-12-14-29-15-13-26/h2-11,25H,12-15H2,1H3,(H,22,23,24) | PDB
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27628
(5-bromo-N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(Br)c2)c1 |r| Show InChI InChI=1S/C18H15BrClN5O/c1-11(23-17-10-22-9-16(20)25-17)12-3-2-4-15(6-12)24-18(26)13-5-14(19)8-21-7-13/h2-11H,1H3,(H,23,25)(H,24,26)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27627
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(C)c2)c1 |r| Show InChI InChI=1S/C19H18ClN5O/c1-12-6-15(9-21-8-12)19(26)24-16-5-3-4-14(7-16)13(2)23-18-11-22-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27637
(N-{3-[(1S)-1-[(5-bromopyridin-3-yl)amino]ethyl]phe...)Show SMILES C[C@H](Nc1cncc(Br)c1)c1cccc(NC(=O)c2cncc(C)c2)c1 |r| Show InChI InChI=1S/C20H19BrN4O/c1-13-6-16(10-22-9-13)20(26)25-18-5-3-4-15(7-18)14(2)24-19-8-17(21)11-23-12-19/h3-12,14,24H,1-2H3,(H,25,26)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311012
(CHEMBL1079078 | N-(4-(2-(4-(4-hydroxypiperidin-1-y...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(O)CC2)n1 Show InChI InChI=1S/C22H25N5O3S/c1-31(29,30)26-18-4-2-16(3-5-18)21-10-13-23-22(25-21)24-17-6-8-19(9-7-17)27-14-11-20(28)12-15-27/h2-10,13,20,26,28H,11-12,14-15H2,1H3,(H,23,24,25) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311002
(CHEMBL1078275 | N-(4-(2-(3-(pyrrolidin-1-ylmethyl)...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1 Show InChI InChI=1S/C22H25N5O2S/c1-30(28,29)26-19-9-7-18(8-10-19)21-11-12-23-22(25-21)24-20-6-4-5-17(15-20)16-27-13-2-3-14-27/h4-12,15,26H,2-3,13-14,16H2,1H3,(H,23,24,25) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311022
(CHEMBL1078005 | N-(cyanomethyl)-4-(5-methyl-2-(4-m...)Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N Show InChI InChI=1S/C24H24N6O2/c1-17-16-27-24(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)29-22(17)18-2-4-19(5-3-18)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29) | PDB
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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311004
(CHEMBL1078277 | N-(4-(2-(3-(morpholinomethyl)pheny...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCOCC3)c2)n1 Show InChI InChI=1S/C22H25N5O3S/c1-31(28,29)26-19-7-5-18(6-8-19)21-9-10-23-22(25-21)24-20-4-2-3-17(15-20)16-27-11-13-30-14-12-27/h2-10,15,26H,11-14,16H2,1H3,(H,23,24,25) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311006
(CHEMBL1078689 | N-(4-(2-(4-(morpholinomethyl)pheny...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCOCC3)cc2)n1 Show InChI InChI=1S/C22H25N5O3S/c1-31(28,29)26-20-8-4-18(5-9-20)21-10-11-23-22(25-21)24-19-6-2-17(3-7-19)16-27-12-14-30-15-13-27/h2-11,26H,12-16H2,1H3,(H,23,24,25) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27631
(3-chloro-N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 |r| Show InChI InChI=1S/C19H15Cl2FN4O/c1-11(24-18-10-23-9-17(21)26-18)12-3-2-4-14(7-12)25-19(27)13-5-6-16(22)15(20)8-13/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27632
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(C)cc2)c1 |r| Show InChI InChI=1S/C20H19ClN4O/c1-13-6-8-15(9-7-13)20(26)24-17-5-3-4-16(10-17)14(2)23-19-12-22-11-18(21)25-19/h3-12,14H,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311019
(CHEMBL1078364 | N-(cyanomethyl)-2-methoxy-4-(2-(4-...)Show SMILES COc1cc(ccc1C(=O)NCC#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c1-32-22-16-17(2-7-20(22)23(31)26-11-9-25)21-8-10-27-24(29-21)28-18-3-5-19(6-4-18)30-12-14-33-15-13-30/h2-8,10,16H,11-15H2,1H3,(H,26,31)(H,27,28,29) | PDB
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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27630
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C20H16ClF3N4O/c1-12(26-18-11-25-10-17(21)28-18)13-4-3-7-16(9-13)27-19(29)14-5-2-6-15(8-14)20(22,23)24/h2-12H,1H3,(H,26,28)(H,27,29)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311016
(2-cyano-N-(4-(2-(4-morpholinophenylamino)pyrimidin...)Show SMILES O=C(CC#N)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-11-9-22(30)26-18-3-1-17(2-4-18)21-10-12-25-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-8,10,12H,9,13-16H2,(H,26,30)(H,25,27,28) | PDB
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Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27639
(N-{3-[(1S)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazi...)Show SMILES COc1cc(ccc1O)-c1cncc(N[C@@H](C)c2cccc(NC(=O)c3cccnc3)c2)n1 |r| Show InChI InChI=1S/C25H23N5O3/c1-16(17-5-3-7-20(11-17)29-25(32)19-6-4-10-26-13-19)28-24-15-27-14-21(30-24)18-8-9-22(31)23(12-18)33-2/h3-16,31H,1-2H3,(H,28,30)(H,29,32)/t16-/m0/s1 | PDB
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Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK1 |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311003
(CHEMBL1078276 | N-(4-(2-(4-(piperidin-1-ylmethyl)p...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCCCC3)cc2)n1 Show InChI InChI=1S/C23H27N5O2S/c1-31(29,30)27-21-11-7-19(8-12-21)22-13-14-24-23(26-22)25-20-9-5-18(6-10-20)17-28-15-3-2-4-16-28/h5-14,27H,2-4,15-17H2,1H3,(H,24,25,26) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311005
(CHEMBL1078688 | N-(4-(2-(3-((4-hydroxypiperidin-1-...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCC(O)CC3)c2)n1 Show InChI InChI=1S/C23H27N5O3S/c1-32(30,31)27-19-7-5-18(6-8-19)22-9-12-24-23(26-22)25-20-4-2-3-17(15-20)16-28-13-10-21(29)11-14-28/h2-9,12,15,21,27,29H,10-11,13-14,16H2,1H3,(H,24,25,26) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311008
(CHEMBL1078866 | N-(4-(2-(3-((4-methylpiperazin-1-y...)Show SMILES CN1CCN(Cc2cccc(Nc3nccc(n3)-c3ccc(NS(C)(=O)=O)cc3)c2)CC1 Show InChI InChI=1S/C23H28N6O2S/c1-28-12-14-29(15-13-28)17-18-4-3-5-21(16-18)25-23-24-11-10-22(26-23)19-6-8-20(9-7-19)27-32(2,30)31/h3-11,16,27H,12-15,17H2,1-2H3,(H,24,25,26) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27626
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccnc(C)c2)c1 |r| Show InChI InChI=1S/C19H18ClN5O/c1-12-8-15(6-7-22-12)19(26)24-16-5-3-4-14(9-16)13(2)23-18-11-21-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1 | PDB
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Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311007
(CHEMBL1078767 | N-(4-(2-(4-((4-hydroxypiperidin-1-...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCC(O)CC3)cc2)n1 Show InChI InChI=1S/C23H27N5O3S/c1-32(30,31)27-20-8-4-18(5-9-20)22-10-13-24-23(26-22)25-19-6-2-17(3-7-19)16-28-14-11-21(29)12-15-28/h2-10,13,21,27,29H,11-12,14-16H2,1H3,(H,24,25,26) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311000
(4-(4-amino-3-methoxyphenyl)-N-(4-morpholinophenyl)...)Show SMILES COc1cc(ccc1N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H23N5O2/c1-27-20-14-15(2-7-18(20)22)19-8-9-23-21(25-19)24-16-3-5-17(6-4-16)26-10-12-28-13-11-26/h2-9,14H,10-13,22H2,1H3,(H,23,24,25) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311009
(CHEMBL1078971 | N-(4-(2-(4-((4-methylpiperazin-1-y...)Show SMILES CN1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 Show InChI InChI=1S/C23H28N6O2S/c1-28-13-15-29(16-14-28)17-18-3-7-20(8-4-18)25-23-24-12-11-22(26-23)19-5-9-21(10-6-19)27-32(2,30)31/h3-12,27H,13-17H2,1-2H3,(H,24,25,26) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27619
(N-[3-(1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-y...)Show SMILES COc1cc(ccc1O)-c1cncc(NC(C)c2cccc(NC(=O)c3cccnc3)c2)n1 Show InChI InChI=1S/C25H23N5O3/c1-16(17-5-3-7-20(11-17)29-25(32)19-6-4-10-26-13-19)28-24-15-27-14-21(30-24)18-8-9-22(31)23(12-18)33-2/h3-16,31H,1-2H3,(H,28,30)(H,29,32) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311019
(CHEMBL1078364 | N-(cyanomethyl)-2-methoxy-4-(2-(4-...)Show SMILES COc1cc(ccc1C(=O)NCC#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c1-32-22-16-17(2-7-20(22)23(31)26-11-9-25)21-8-10-27-24(29-21)28-18-3-5-19(6-4-18)30-12-14-33-15-13-30/h2-8,10,16H,11-15H2,1H3,(H,26,31)(H,27,28,29) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50310999
(4-(1H-indol-5-yl)-N-(4-morpholinophenyl)pyrimidin-...)Show SMILES C1CN(CCO1)c1ccc(Nc2nccc(n2)-c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C22H21N5O/c1-6-20-17(7-9-23-20)15-16(1)21-8-10-24-22(26-21)25-18-2-4-19(5-3-18)27-11-13-28-14-12-27/h1-10,15,23H,11-14H2,(H,24,25,26) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
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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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27625
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(C)nc2)c1 |r| Show InChI InChI=1S/C19H18ClN5O/c1-12-6-7-15(9-22-12)19(26)24-16-5-3-4-14(8-16)13(2)23-18-11-21-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM27629
(N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]ph...)Show SMILES C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C19H17ClN4O/c1-13(22-18-12-21-11-17(20)24-18)15-8-5-9-16(10-15)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Cytopia Research Pty Ltd
| Assay Description
Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures... |
Bioorg Med Chem Lett 19: 1206-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.073
BindingDB Entry DOI: 10.7270/Q2PZ5742 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311032
(CHEMBL1078934 | N-(cyanomethyl)-4-(2-(4-(4-methylp...)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1 Show InChI InChI=1S/C24H25N7O/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)28-24-27-12-10-22(29-24)18-2-4-19(5-3-18)23(32)26-13-11-25/h2-10,12H,13-17H2,1H3,(H,26,32)(H,27,28,29) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311031
(CHEMBL1078933 | N-(cyanomethyl)-4-(2-(4-((4-ethylp...)Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(cc3)C(=O)NCC#N)cc2)CC1 Show InChI InChI=1S/C26H29N7O/c1-2-32-15-17-33(18-16-32)19-20-3-9-23(10-4-20)30-26-29-13-11-24(31-26)21-5-7-22(8-6-21)25(34)28-14-12-27/h3-11,13H,2,14-19H2,1H3,(H,28,34)(H,29,30,31) | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311030
(CHEMBL1077842 | N-Cyanomethyl-4-{2-[4-(1,1-dioxo-1...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 Show InChI InChI=1S/C24H24N6O3S/c25-10-12-26-23(31)20-5-3-19(4-6-20)22-9-11-27-24(29-22)28-21-7-1-18(2-8-21)17-30-13-15-34(32,33)16-14-30/h1-9,11H,12-17H2,(H,26,31)(H,27,28,29) | PDB
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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311001
(2-methoxy-4-(2-(4-morpholinophenylamino)pyrimidin-...)Show SMILES COc1cc(ccc1O)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H22N4O3/c1-27-20-14-15(2-7-19(20)26)18-8-9-22-21(24-18)23-16-3-5-17(6-4-16)25-10-12-28-13-11-25/h2-9,14,26H,10-13H2,1H3,(H,22,23,24) | PDB
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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311018
(CHEMBL1078363 | N-(cyanomethyl)-2-methyl-4-(2-(4-m...)Show SMILES Cc1cc(ccc1C(=O)NCC#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O2/c1-17-16-18(2-7-21(17)23(31)26-11-9-25)22-8-10-27-24(29-22)28-19-3-5-20(6-4-19)30-12-14-32-15-13-30/h2-8,10,16H,11-15H2,1H3,(H,26,31)(H,27,28,29) | PDB
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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311016
(2-cyano-N-(4-(2-(4-morpholinophenylamino)pyrimidin...)Show SMILES O=C(CC#N)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-11-9-22(30)26-18-3-1-17(2-4-18)21-10-12-25-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-8,10,12H,9,13-16H2,(H,26,30)(H,25,27,28) | PDB
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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50310998
(CHEMBL1077458 | N-(4-(2-(4-morpholinophenylamino)p...)Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C22H23N5O2/c1-16(28)24-18-4-2-17(3-5-18)21-10-11-23-22(26-21)25-19-6-8-20(9-7-19)27-12-14-29-15-13-27/h2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311029
(CHEMBL1077841 | N-(cyanomethyl)-4-(2-(4-thiomorpho...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCSCC2)n1 Show InChI InChI=1S/C23H22N6OS/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50310997
(4-(4-((2-methyl-1H-imidazol-1-yl)methyl)phenyl)-N-...)Show SMILES Cc1nccn1Cc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C25H26N6O/c1-19-26-12-13-31(19)18-20-2-4-21(5-3-20)24-10-11-27-25(29-24)28-22-6-8-23(9-7-22)30-14-16-32-17-15-30/h2-13H,14-18H2,1H3,(H,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50310996
(4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benze...)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C20H21N5O3S/c21-29(26,27)18-7-1-15(2-8-18)19-9-10-22-20(24-19)23-16-3-5-17(6-4-16)25-11-13-28-14-12-25/h1-10H,11-14H2,(H2,21,26,27)(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311022
(CHEMBL1078005 | N-(cyanomethyl)-4-(5-methyl-2-(4-m...)Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N Show InChI InChI=1S/C24H24N6O2/c1-17-16-27-24(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)29-22(17)18-2-4-19(5-3-18)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29) | PDB
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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50310995
(2,6-dimethyl-4-(2-(4-morpholinophenylamino)pyrimid...)Show SMILES Cc1cc(cc(C)c1O)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C22H24N4O2/c1-15-13-17(14-16(2)21(15)27)20-7-8-23-22(25-20)24-18-3-5-19(6-4-18)26-9-11-28-12-10-26/h3-8,13-14,27H,9-12H2,1-2H3,(H,23,24,25) | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311002
(CHEMBL1078275 | N-(4-(2-(3-(pyrrolidin-1-ylmethyl)...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1 Show InChI InChI=1S/C22H25N5O2S/c1-30(28,29)26-19-9-7-18(8-10-19)21-11-12-23-22(25-21)24-20-6-4-5-17(15-20)16-27-13-2-3-14-27/h4-12,15,26H,2-3,13-14,16H2,1H3,(H,23,24,25) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311028
(CHEMBL1078229 | N-(cyanomethyl)-4-(2-(3-morpholino...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-9-11-25-22(30)18-6-4-17(5-7-18)21-8-10-26-23(28-21)27-19-2-1-3-20(16-19)29-12-14-31-15-13-29/h1-8,10,16H,11-15H2,(H,25,30)(H,26,27,28) | PDB
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 | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311027
(CHEMBL1078228 | N-(cyanomethyl)-4-(2-(3-fluoro-4-m...)Show SMILES Fc1cc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)ccc1N1CCOCC1 Show InChI InChI=1S/C23H21FN6O2/c24-19-15-18(5-6-21(19)30-11-13-32-14-12-30)28-23-27-9-7-20(29-23)16-1-3-17(4-2-16)22(31)26-10-8-25/h1-7,9,15H,10-14H2,(H,26,31)(H,27,28,29) | PDB
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 | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071
BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this
Ligand-Target Pair | |
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