Found 535 hits with Last Name = 'maldonado' and Initial = 'm' 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 |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357914
(CHEMBL1916528)Show SMILES [O-][n+]1ccc2c(cc(NC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl)-c1ccccc1Cl |(20.25,-36.83,;21.59,-36.06,;21.59,-34.52,;22.92,-33.75,;24.25,-34.51,;25.59,-33.73,;26.93,-34.51,;26.93,-36.06,;28.26,-36.83,;29.59,-36.07,;30.92,-36.85,;32.25,-36.09,;32.27,-34.55,;30.93,-33.77,;29.59,-34.53,;25.58,-36.83,;24.25,-36.06,;22.92,-36.83,;22.93,-38.37,;21.59,-39.14,;20.26,-38.37,;21.59,-40.68,;22.93,-41.45,;24.27,-40.66,;24.26,-39.13,;25.59,-38.35,;25.59,-32.2,;26.93,-31.43,;26.93,-29.89,;25.59,-29.12,;24.25,-29.9,;24.26,-31.44,;22.93,-32.21,)| Show InChI InChI=1S/C25H21Cl3N4O/c26-19-5-2-1-4-16(19)18-14-22(30-15-8-11-29-12-9-15)31-24-17(18)10-13-32(33)25(24)23-20(27)6-3-7-21(23)28/h1-7,10,13-15,29H,8-9,11-12H2,(H,30,31) | 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 | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450688
(CHEMBL4168086)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H24N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18,30H,1-2H3,(H2,31,32,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM236932
(US9388189, 28)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C26H22F3N7O2/c1-14-8-9-35-21(14)25(38)36(18-6-4-3-5-7-18)24(34-35)15(2)33-23-20(22(30)31-13-32-23)16-10-17(26(27,28)29)12-19(37)11-16/h3-13,15,37H,1-2H3,(H3,30,31,32,33)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450675
(CHEMBL4166977)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450679
(CHEMBL4164652)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cnn(C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H23N9O/c1-15-9-10-33-21(15)25(35)34(18-7-5-4-6-8-18)24(31-33)16(2)30-23-20-19(17-11-29-32(3)13-17)12-26-22(20)27-14-28-23/h4-14,16H,1-3H3,(H2,26,27,28,30)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450680
(CHEMBL4168702)Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM236935
(US9388189, 36)Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450693
(CHEMBL4164842)Show SMILES COc1cccc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)c1O |r| Show InChI InChI=1S/C28H25N7O3/c1-16-12-13-34-23(16)28(37)35(18-8-5-4-6-9-18)27(33-34)17(2)32-26-22-20(14-29-25(22)30-15-31-26)19-10-7-11-21(38-3)24(19)36/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450687
(CHEMBL4164818)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(Cl)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H22ClN7O2/c1-14-8-9-32-21(14)25(35)33(18-6-4-3-5-7-18)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-10-17(26)12-19(34)11-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM236931
(US9388189, 27)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357913
(CHEMBL1916527)Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)N1CCNCC1)-c1ccccc1Cl |(6.31,-36.87,;7.64,-36.1,;7.64,-34.56,;8.97,-33.79,;10.31,-34.55,;11.64,-33.77,;12.98,-34.55,;12.98,-36.1,;11.64,-36.87,;10.3,-36.1,;8.98,-36.87,;8.98,-38.4,;7.64,-39.18,;6.31,-38.41,;7.65,-40.71,;8.98,-41.48,;10.32,-40.7,;10.31,-39.17,;11.64,-38.39,;14.3,-36.87,;14.29,-38.41,;15.62,-39.18,;16.96,-38.42,;16.97,-36.88,;15.63,-36.1,;11.64,-32.24,;12.98,-31.47,;12.98,-29.93,;11.64,-29.16,;10.31,-29.94,;10.31,-31.48,;8.98,-32.25,)| Show InChI InChI=1S/C24H19Cl3N4O/c25-18-5-2-1-4-15(18)17-14-21(30-12-9-28-10-13-30)29-23-16(17)8-11-31(32)24(23)22-19(26)6-3-7-20(22)27/h1-8,11,14,28H,9-10,12-13H2 | 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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357909
(CHEMBL1916523)Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(F)cccc1F)C1CCNCC1)-c1ccccc1Cl |(-8.74,-20.09,;-7.4,-19.32,;-7.4,-17.78,;-6.07,-17.01,;-4.74,-17.77,;-3.4,-16.99,;-2.06,-17.77,;-2.07,-19.32,;-3.41,-20.09,;-4.74,-19.32,;-6.07,-20.09,;-6.06,-21.63,;-7.4,-22.4,;-8.73,-21.63,;-7.4,-23.94,;-6.06,-24.71,;-4.72,-23.92,;-4.73,-22.39,;-3.4,-21.61,;-.73,-20.09,;-.74,-21.63,;.59,-22.4,;1.93,-21.64,;1.93,-20.1,;.6,-19.32,;-3.4,-15.46,;-2.07,-14.69,;-2.06,-13.15,;-3.4,-12.38,;-4.74,-13.16,;-4.73,-14.7,;-6.06,-15.47,)| Show InChI InChI=1S/C25H20ClF2N3O/c26-19-5-2-1-4-16(19)18-14-22(15-8-11-29-12-9-15)30-24-17(18)10-13-31(32)25(24)23-20(27)6-3-7-21(23)28/h1-7,10,13-15,29H,8-9,11-12H2 | 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 | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357911
(CHEMBL1916525)Show SMILES [O-][n+]1ccc2c(cc(NC3CCNCC3)nc2c1-c1c(F)cccc1F)-c1ccc(F)cc1F |(23.08,-19.61,;24.41,-18.84,;24.41,-17.3,;25.74,-16.53,;27.08,-17.29,;28.41,-16.51,;29.75,-17.29,;29.75,-18.84,;31.08,-19.62,;32.42,-18.85,;33.75,-19.63,;35.08,-18.87,;35.09,-17.33,;33.76,-16.55,;32.41,-17.31,;28.41,-19.61,;27.08,-18.84,;25.75,-19.61,;25.75,-21.15,;27.08,-21.91,;28.41,-21.13,;27.09,-23.45,;25.76,-24.23,;24.42,-23.46,;24.42,-21.92,;23.08,-21.15,;28.41,-14.98,;29.75,-14.21,;29.75,-12.67,;28.42,-11.9,;28.41,-10.36,;27.08,-12.68,;27.08,-14.22,;25.75,-14.99,)| Show InChI InChI=1S/C25H20F4N4O/c26-14-4-5-16(21(29)12-14)18-13-22(31-15-6-9-30-10-7-15)32-24-17(18)8-11-33(34)25(24)23-19(27)2-1-3-20(23)28/h1-5,8,11-13,15,30H,6-7,9-10H2,(H,31,32) | 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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450681
(CHEMBL4171428)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N8O3S/c1-17-12-13-35-24(17)28(37)36(21-10-5-4-6-11-21)27(33-35)18(2)32-26-23-22(15-29-25(23)30-16-31-26)19-8-7-9-20(14-19)34-40(3,38)39/h4-16,18,34H,1-3H3,(H2,29,30,31,32)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530803
(CHEMBL4536396)Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C19H13F2N7O/c1-10(13-4-2-11(20)6-22-13)28-18-14(25-19(28)29)7-24-17(26-18)15-8-23-16-5-3-12(21)9-27(15)16/h2-10H,1H3,(H,25,29)/t10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530803
(CHEMBL4536396)Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C19H13F2N7O/c1-10(13-4-2-11(20)6-22-13)28-18-14(25-19(28)29)7-24-17(26-18)15-8-23-16-5-3-12(21)9-27(15)16/h2-10H,1H3,(H,25,29)/t10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450691
(CHEMBL4168514)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cccc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C26H26N8O3S/c1-16-12-13-33-22(16)26(35)34(20-10-5-4-6-11-20)25(31-33)17(2)30-24-21(23(27)28-15-29-24)18-8-7-9-19(14-18)32-38(3,36)37/h4-15,17,32H,1-3H3,(H3,27,28,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450680
(CHEMBL4168702)Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450674
(CHEMBL4163332)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(ccc3O)C(F)(F)F)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H22F3N7O2/c1-15-10-11-37-23(15)27(40)38(18-6-4-3-5-7-18)26(36-37)16(2)35-25-22-20(13-32-24(22)33-14-34-25)19-12-17(28(29,30)31)8-9-21(19)39/h3-14,16,39H,1-2H3,(H2,32,33,34,35)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450695
(CHEMBL4176898)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H23N7O2/c1-16-12-13-33-23(16)27(36)34(19-6-4-3-5-7-19)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)18-8-10-20(35)11-9-18/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450685
(CHEMBL4160167)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cn[nH]c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C24H21N9O/c1-14-8-9-32-20(14)24(34)33(17-6-4-3-5-7-17)23(31-32)15(2)30-22-19-18(16-10-28-29-11-16)12-25-21(19)26-13-27-22/h3-13,15H,1-2H3,(H,28,29)(H2,25,26,27,30)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357916
(CHEMBL1916530)Show SMILES [O-][n+]1ccc2c(cc(OC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl)-c1ccccc1Cl |(8.24,-4.99,;9.58,-4.22,;9.58,-2.68,;10.91,-1.9,;12.24,-2.67,;13.58,-1.89,;14.92,-2.67,;14.91,-4.22,;16.25,-4.99,;17.58,-4.23,;18.91,-5.01,;20.25,-4.25,;20.26,-2.71,;18.93,-1.93,;17.58,-2.69,;13.57,-4.99,;12.24,-4.22,;10.91,-4.99,;10.92,-6.52,;9.58,-7.3,;8.25,-6.53,;9.58,-8.83,;10.92,-9.6,;12.26,-8.82,;12.25,-7.29,;13.58,-6.51,;13.58,-.36,;14.91,.41,;14.92,1.95,;13.58,2.72,;12.24,1.94,;12.25,.4,;10.92,-.37,)| Show InChI InChI=1S/C25H20Cl3N3O2/c26-19-5-2-1-4-16(19)18-14-22(33-15-8-11-29-12-9-15)30-24-17(18)10-13-31(32)25(24)23-20(27)6-3-7-21(23)28/h1-7,10,13-15,29H,8-9,11-12H2 | 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 | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357903
(CHEMBL1916360)Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1Cl |(-9.19,-39.37,;-7.86,-38.61,;-7.86,-37.06,;-6.53,-36.29,;-5.19,-37.05,;-3.86,-36.28,;-2.52,-37.06,;-2.52,-38.6,;-3.87,-39.37,;-5.2,-38.6,;-6.53,-39.38,;-6.52,-40.91,;-7.86,-41.68,;-9.19,-40.91,;-7.85,-43.22,;-6.52,-43.99,;-5.18,-43.21,;-5.19,-41.67,;-3.86,-40.89,;-1.19,-39.37,;-1.2,-40.91,;.13,-41.69,;1.47,-40.93,;1.47,-39.38,;.14,-38.6,;-3.86,-34.75,;-2.52,-33.98,;-2.52,-32.44,;-3.86,-31.67,;-3.86,-30.13,;-5.2,-32.45,;-5.19,-33.98,;-6.52,-34.76,)| Show InChI InChI=1S/C25H19Cl3FN3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(29)12-21(16)28)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2 | 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 | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357915
(CHEMBL1916529)Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(4.35,-2.11,;3.01,-2.87,;2.99,-4.41,;4.53,-4.41,;3.76,-5.74,;1.66,-5.17,;.33,-4.39,;.33,-2.86,;1.67,-2.09,;.89,-.75,;2.44,-.75,;-1.01,-5.16,;-2.34,-4.38,;-2.34,-2.84,;-3.67,-2.06,;-3.67,-.52,;-2.34,.24,;-2.34,1.78,;-3.67,2.55,;-5.01,1.78,;-5,.24,;-6.33,-.53,;-5.01,-2.83,;-6.34,-2.07,;-7.67,-2.84,;-7.67,-4.38,;-9.01,-5.15,;-6.34,-5.15,;-6.33,-6.69,;-7.67,-7.46,;-9,-6.69,;-7.67,-9,;-6.33,-9.77,;-4.99,-8.98,;-5,-7.45,;-3.67,-6.67,;-5.01,-4.38,;-3.68,-5.15,)| Show InChI InChI=1S/C30H31Cl3N4O/c1-29(2)16-18(17-30(3,4)36(29)5)34-25-15-21(19-9-6-7-10-22(19)31)20-13-14-37(38)28(27(20)35-25)26-23(32)11-8-12-24(26)33/h6-15,18H,16-17H2,1-5H3,(H,34,35) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450682
(CHEMBL4167561)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N9O3S/c1-17-10-12-38-26(17)30(40)39(20-7-5-4-6-8-20)29(36-38)18(2)35-28-25-23(15-32-27(25)33-16-34-28)22-13-19(37-43(3,41)42)14-24-21(22)9-11-31-24/h4-16,18,31,37H,1-3H3,(H2,32,33,34,35)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450697
(CHEMBL4176794)Show SMILES C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H22FN7O2/c1-14-10-11-32-21(14)25(35)33(17-6-4-3-5-7-17)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-8-9-19(34)18(26)12-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357906
(CHEMBL1916520)Show SMILES CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(2.33,-7.59,;2.34,-6.04,;3.68,-5.28,;3.67,-6.81,;1.02,-5.27,;-.33,-6.03,;-1.65,-5.25,;-1.64,-3.71,;-.31,-2.94,;1.02,-3.72,;-2.98,-2.94,;-2.97,-1.4,;-4.31,-.62,;-4.31,.91,;-2.98,1.68,;-2.97,3.22,;-4.31,3.99,;-4.31,5.53,;-5.65,3.22,;-5.64,1.68,;-6.97,.91,;-5.65,-1.39,;-6.98,-.63,;-8.31,-1.4,;-8.31,-2.94,;-9.65,-3.71,;-6.98,-3.72,;-6.97,-5.25,;-8.31,-6.02,;-9.64,-5.25,;-8.31,-7.56,;-6.97,-8.33,;-5.63,-7.55,;-5.64,-6.01,;-4.31,-5.23,;-5.65,-2.94,;-4.32,-3.71,)| Show InChI InChI=1S/C29H27Cl3FN3O/c1-29(2,3)35-12-9-17(10-13-35)25-16-21(19-8-7-18(33)15-24(19)32)20-11-14-36(37)28(27(20)34-25)26-22(30)5-4-6-23(26)31/h4-8,11,14-17H,9-10,12-13H2,1-3H3 | 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 | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357905
(CHEMBL1916519)Show SMILES CC(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(32.53,-43.15,;32.54,-41.61,;33.88,-40.85,;31.21,-40.83,;29.87,-41.59,;28.54,-40.82,;28.55,-39.28,;29.88,-38.51,;31.22,-39.29,;27.23,-38.51,;27.23,-36.96,;25.89,-36.19,;25.89,-34.65,;27.23,-33.88,;27.23,-32.35,;25.89,-31.57,;25.89,-30.03,;24.55,-32.35,;24.56,-33.89,;23.23,-34.66,;24.56,-36.96,;23.22,-36.2,;21.89,-36.97,;21.89,-38.51,;20.56,-39.28,;23.22,-39.28,;23.23,-40.82,;21.89,-41.59,;20.56,-40.82,;21.9,-43.13,;23.23,-43.89,;24.57,-43.11,;24.56,-41.58,;25.89,-40.8,;24.55,-38.51,;25.88,-39.28,)| Show InChI InChI=1S/C28H25Cl3FN3O/c1-16(2)34-11-8-17(9-12-34)25-15-21(19-7-6-18(32)14-24(19)31)20-10-13-35(36)28(27(20)33-25)26-22(29)4-3-5-23(26)30/h3-7,10,13-17H,8-9,11-12H2,1-2H3 | 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 | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Lysine--tRNA ligase
(Homo sapiens (Human)) | BDBM50390557
(CHEMBL2069346)Show SMILES FC(F)(F)c1ccnc(Nc2cccc(n2)-c2cccc(c2)N2CCNCC2)c1 Show InChI InChI=1S/C21H20F3N5/c22-21(23,24)16-7-8-26-20(14-16)28-19-6-2-5-18(27-19)15-3-1-4-17(13-15)29-11-9-25-10-12-29/h1-8,13-14,25H,9-12H2,(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay |
Bioorg Med Chem Lett 22: 5419-23 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.045 BindingDB Entry DOI: 10.7270/Q2416Z4V |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530807
(CHEMBL4469844)Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530807
(CHEMBL4469844)Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM236931
(US9388189, 27)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450690
(CHEMBL4175709)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C26H26N8O4S/c1-15-9-10-33-22(15)26(36)34(19-7-5-4-6-8-19)25(31-33)16(2)30-24-21(23(27)28-14-29-24)17-11-18(13-20(35)12-17)32-39(3,37)38/h4-14,16,32,35H,1-3H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450689
(CHEMBL4161674)Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C25H22FN7O2/c1-14-8-9-32-21(14)25(35)33(18-6-4-3-5-7-18)24(31-32)15(2)30-23-20(22(27)28-13-29-23)16-10-17(26)12-19(34)11-16/h3-13,15,34H,1-2H3,(H3,27,28,29,30)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50530792
(CHEMBL4526485)Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](CC#N)CC4)c3n2)c1 |r,wU:16.15,wD:19.19,(27.52,-36.41,;26.19,-37.18,;24.85,-36.4,;23.52,-37.18,;23.53,-38.72,;22.2,-39.49,;24.85,-39.48,;24.85,-41.02,;26.19,-41.79,;26.18,-43.33,;27.52,-44.1,;28.85,-43.33,;30.32,-43.8,;31.23,-42.55,;32.77,-42.55,;30.32,-41.31,;30.79,-39.84,;29.76,-38.71,;30.24,-37.25,;31.75,-36.93,;32.22,-35.47,;33.72,-35.15,;35.22,-34.83,;32.77,-38.07,;32.3,-39.53,;28.85,-41.78,;27.52,-41.02,;26.19,-38.71,)| Show InChI InChI=1S/C18H18ClN7O2/c19-11-7-13(16(27)21-8-11)23-17-22-9-14-15(25-17)26(18(28)24-14)12-3-1-10(2-4-12)5-6-20/h7-10,12H,1-5H2,(H,21,27)(H,24,28)(H,22,23,25)/t10-,12- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530780
(CHEMBL4450301)Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50530792
(CHEMBL4526485)Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](CC#N)CC4)c3n2)c1 |r,wU:16.15,wD:19.19,(27.52,-36.41,;26.19,-37.18,;24.85,-36.4,;23.52,-37.18,;23.53,-38.72,;22.2,-39.49,;24.85,-39.48,;24.85,-41.02,;26.19,-41.79,;26.18,-43.33,;27.52,-44.1,;28.85,-43.33,;30.32,-43.8,;31.23,-42.55,;32.77,-42.55,;30.32,-41.31,;30.79,-39.84,;29.76,-38.71,;30.24,-37.25,;31.75,-36.93,;32.22,-35.47,;33.72,-35.15,;35.22,-34.83,;32.77,-38.07,;32.3,-39.53,;28.85,-41.78,;27.52,-41.02,;26.19,-38.71,)| Show InChI InChI=1S/C18H18ClN7O2/c19-11-7-13(16(27)21-8-11)23-17-22-9-14-15(25-17)26(18(28)24-14)12-3-1-10(2-4-12)5-6-20/h7-10,12H,1-5H2,(H,21,27)(H,24,28)(H,22,23,25)/t10-,12- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530780
(CHEMBL4450301)Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450675
(CHEMBL4166977)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50450695
(CHEMBL4176898)Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H23N7O2/c1-16-12-13-33-23(16)27(36)34(19-6-4-3-5-7-19)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)18-8-10-20(35)11-9-18/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357904
(CHEMBL1916361)Show SMILES CN1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(17.77,-41.9,;16.45,-41.12,;15.11,-41.88,;13.78,-41.11,;13.79,-39.56,;15.12,-38.8,;16.45,-39.58,;12.46,-38.8,;12.47,-37.25,;11.13,-36.47,;11.13,-34.94,;12.46,-34.17,;12.47,-32.63,;11.13,-31.86,;11.13,-30.32,;9.79,-32.64,;9.8,-34.18,;8.47,-34.95,;9.79,-37.25,;8.46,-36.48,;7.13,-37.26,;7.13,-38.8,;5.79,-39.57,;8.46,-39.57,;8.47,-41.1,;7.13,-41.88,;5.8,-41.11,;7.13,-43.41,;8.47,-44.18,;9.81,-43.4,;9.8,-41.87,;11.13,-41.09,;9.79,-38.8,;11.12,-39.57,)| Show InChI InChI=1S/C26H21Cl3FN3O/c1-32-10-7-15(8-11-32)23-14-19(17-6-5-16(30)13-22(17)29)18-9-12-33(34)26(25(18)31-23)24-20(27)3-2-4-21(24)28/h2-6,9,12-15H,7-8,10-11H2,1H3 | 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 | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM15242
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...)Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1 Show InChI InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of p38alpha MAP kinase |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530801
(CHEMBL4471599)Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50530801
(CHEMBL4471599)Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50357902
(CHEMBL1738839)Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1F |(3.73,1.38,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.07,3.23,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-1.33,-3.08,;.01,-3.84,;.01,-5.38,;-1.32,-6.16,;-1.32,-7.39,;-2.65,-5.39,;-2.66,-3.85,;-3.73,-3.24,)| Show InChI InChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2 | PDB MMDB
NCI pathway 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 | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis |
J Med Chem 54: 7899-910 (2011)
Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50450696
(CHEMBL4161229)Show SMILES C[C@H](Nc1ncnc2[nH]cc(Sc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H23N7O2S/c1-16-11-12-33-23(16)27(36)34(18-7-4-3-5-8-18)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)37-20-10-6-9-19(35)13-20/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50530801
(CHEMBL4471599)Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50208187
(CHEMBL3897116)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C20H18N8O/c1-12-8-9-27-16(12)20(29)28(14-6-4-3-5-7-14)19(26-27)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat... |
J Med Chem 61: 9551-9567 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50530801
(CHEMBL4471599)Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50530784
(CHEMBL4482927)Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r| Show InChI InChI=1S/C19H14ClFN6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af... |
J Med Chem 62: 9045-9060 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00533 BindingDB Entry DOI: 10.7270/Q24Q7ZF5 |
More data for this Ligand-Target Pair | |