Found 93 hits with Last Name = 'andrau' and Initial = 'l' 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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494813
(CHEMBL3094348)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)C(O)=O Show InChI InChI=1S/C21H17N5O3S/c1-2-22-20(29)26-21-25-17-10-13(12-6-7-16(19(27)28)24-11-12)9-14(18(17)30-21)15-5-3-4-8-23-15/h3-11H,2H2,1H3,(H,27,28)(H2,22,25,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.38 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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 | |
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 | |
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)) | 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)) | 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 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 | |
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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494804
(CHEMBL3094361)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC1(C)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-12-15(11-17(20(19)36-24)18-7-4-5-9-27-18)16-13-28-22(29-14-16)32-10-6-8-25(32,2)21(33)34/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,33,34)(H2,26,30,31,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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
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 | 10 | 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 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494814
(CHEMBL3094364)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC(C)(CC1)C(O)=O Show InChI InChI=1S/C27H29N7O3S/c1-3-28-25(37)33-26-32-21-14-17(13-19(22(21)38-26)20-7-4-5-10-29-20)18-15-30-24(31-16-18)34-11-6-8-27(2,9-12-34)23(35)36/h4-5,7,10,13-16H,3,6,8-9,11-12H2,1-2H3,(H,35,36)(H2,28,32,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494811
(CHEMBL3094350)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36) | PDB
MMDB
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Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50494811
(CHEMBL3094350)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36) | PDB
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Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494806
(CHEMBL3094349)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-2-26-24(35)31-25-30-20-12-16(11-18(21(20)36-25)19-5-3-4-8-27-19)17-13-28-23(29-14-17)32-9-6-15(7-10-32)22(33)34/h3-5,8,11-15H,2,6-7,9-10H2,1H3,(H,33,34)(H2,26,30,31,35) | PDB
MMDB
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| Article
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| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494810
(CHEMBL3094351)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC)(CC1)C(O)=O Show InChI InChI=1S/C27H29N7O3S/c1-3-27(23(35)36)8-11-34(12-9-27)24-30-15-18(16-31-24)17-13-19(20-7-5-6-10-29-20)22-21(14-17)32-26(38-22)33-25(37)28-4-2/h5-7,10,13-16H,3-4,8-9,11-12H2,1-2H3,(H,35,36)(H2,28,32,33,37) | PDB
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| n/a | n/a | 22.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494805
(CHEMBL3094357)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C27H28N6O3S/c1-3-28-25(36)32-26-31-21-15-18(14-19(23(21)37-26)20-6-4-5-11-29-20)17-7-8-22(30-16-17)33-12-9-27(2,10-13-33)24(34)35/h4-8,11,14-16H,3,9-10,12-13H2,1-2H3,(H,34,35)(H2,28,31,32,36) | PDB
MMDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 23.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50494806
(CHEMBL3094349)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-2-26-24(35)31-25-30-20-12-16(11-18(21(20)36-25)19-5-3-4-8-27-19)17-13-28-23(29-14-17)32-9-6-15(7-10-32)22(33)34/h3-5,8,11-15H,2,6-7,9-10H2,1H3,(H,33,34)(H2,26,30,31,35) | PDB
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| Article
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| n/a | n/a | 23.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494802
(CHEMBL3094353)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)(C(O)=O)C(F)(F)F Show InChI InChI=1S/C26H24F3N7O3S/c1-2-30-23(39)35-24-34-19-12-15(11-17(20(19)40-24)18-5-3-4-8-31-18)16-13-32-22(33-14-16)36-9-6-25(7-10-36,21(37)38)26(27,28)29/h3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,37,38)(H2,30,34,35,39) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494809
(CHEMBL3094359)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cncc(c1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C27H28N6O3S/c1-3-29-25(36)32-26-31-22-14-17(13-20(23(22)37-26)21-6-4-5-9-30-21)18-12-19(16-28-15-18)33-10-7-27(2,8-11-33)24(34)35/h4-6,9,12-16H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,29,31,32,36) | PDB
MMDB
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| Article
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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)) | 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 | 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) |
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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494812
(CHEMBL3094347)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cccnc1 Show InChI InChI=1S/C20H17N5OS/c1-2-22-19(26)25-20-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)27-20)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H2,22,24,25,26) | PDB
MMDB
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| n/a | n/a | 37.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494803
(CHEMBL3094358)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(cn1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-19-13-16(12-17(22(19)37-25)18-6-4-5-9-28-18)20-14-30-21(15-29-20)33-10-7-26(2,8-11-33)23(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36) | PDB
MMDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 38.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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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PubMed
| 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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494807
(CHEMBL3094362)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(C1)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-11-15(10-17(20(19)36-24)18-6-4-5-8-27-18)16-12-28-22(29-13-16)32-9-7-25(2,14-32)21(33)34/h4-6,8,10-13H,3,7,9,14H2,1-2H3,(H,33,34)(H2,26,30,31,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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 | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494808
(CHEMBL3094360)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1nc(ns1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C24H25N7O3S2/c1-3-25-22(34)29-23-27-17-13-14(12-15(18(17)35-23)16-6-4-5-9-26-16)19-28-21(30-36-19)31-10-7-24(2,8-11-31)20(32)33/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,32,33)(H2,25,27,29,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
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 | |
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