Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50048015 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200976
(CHEMBL3946307)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200959
(CHEMBL3903747)Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200976
(CHEMBL3946307)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200974
(CHEMBL3975628 | US10087187, Compound 6)Show SMILES Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H22F3N5O/c1-12-14(4-3-5-15(12)20(21,22)23)10-17-13(2)25-19-16(24)11-18(26-28(17)19)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200978
(CHEMBL3956037 | US10087187, Compound 58)Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200968
(CHEMBL3983623 | US10087187, Compound 46)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200974
(CHEMBL3975628 | US10087187, Compound 6)Show SMILES Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H22F3N5O/c1-12-14(4-3-5-15(12)20(21,22)23)10-17-13(2)25-19-16(24)11-18(26-28(17)19)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200978
(CHEMBL3956037 | US10087187, Compound 58)Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200970
(CHEMBL3955003 | US10087187, Compound 52)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200959
(CHEMBL3903747)Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200973
(CHEMBL3897548 | US10087187, Compound 1)Show SMILES CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H31F3N6O3S/c1-16-17(5-4-6-18(16)24(25,26)27)13-21-20(15-31(2)9-12-37(3,34)35)29-23-19(28)14-22(30-33(21)23)32-7-10-36-11-8-32/h4-6,14H,7-13,15,28H2,1-3H3 | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200929
(CHEMBL3894812)Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200979
(CHEMBL3966155)Show SMILES OS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200973
(CHEMBL3897548 | US10087187, Compound 1)Show SMILES CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H31F3N6O3S/c1-16-17(5-4-6-18(16)24(25,26)27)13-21-20(15-31(2)9-12-37(3,34)35)29-23-19(28)14-22(30-33(21)23)32-7-10-36-11-8-32/h4-6,14H,7-13,15,28H2,1-3H3 | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200930
(CHEMBL3928423 | US10087187, Compound 66)Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3 | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200930
(CHEMBL3928423 | US10087187, Compound 66)Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3 | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200970
(CHEMBL3955003 | US10087187, Compound 52)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3 | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200929
(CHEMBL3894812)Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200977
(CHEMBL3986383 | US10087187, Compound 5)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C23H23F3N6O/c1-14-16(4-3-5-18(14)23(24,25)26)10-20-15(2)29-22-17(19-12-27-13-28-19)11-21(30-32(20)22)31-6-8-33-9-7-31/h3-5,11-13H,6-10H2,1-2H3,(H,27,28) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200979
(CHEMBL3966155)Show SMILES OS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200977
(CHEMBL3986383 | US10087187, Compound 5)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C23H23F3N6O/c1-14-16(4-3-5-18(14)23(24,25)26)10-20-15(2)29-22-17(19-12-27-13-28-19)11-21(30-32(20)22)31-6-8-33-9-7-31/h3-5,11-13H,6-10H2,1-2H3,(H,27,28) | 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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200930
(CHEMBL3928423 | US10087187, Compound 66)Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3 | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200975
(CHEMBL3916621 | US10087187, Compound 2)Show SMILES Cc1c(Cc2c(CNCCS(C)(=O)=O)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C23H29F3N6O3S/c1-15-16(4-3-5-17(15)23(24,25)26)12-20-19(14-28-6-11-36(2,33)34)29-22-18(27)13-21(30-32(20)22)31-7-9-35-10-8-31/h3-5,13,28H,6-12,14,27H2,1-2H3 | 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 | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200968
(CHEMBL3983623 | US10087187, Compound 46)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30) | 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 | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200975
(CHEMBL3916621 | US10087187, Compound 2)Show SMILES Cc1c(Cc2c(CNCCS(C)(=O)=O)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C23H29F3N6O3S/c1-15-16(4-3-5-17(15)23(24,25)26)12-20-19(14-28-6-11-36(2,33)34)29-22-18(27)13-21(30-32(20)22)31-7-9-35-10-8-31/h3-5,13,28H,6-12,14,27H2,1-2H3 | 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 | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200969
(CHEMBL3970860 | US10087187, Compound 9)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C21H21F3N4O3/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)25-19-15(20(29)30)11-18(26-28(17)19)27-6-8-31-9-7-27/h3-5,11H,6-10H2,1-2H3,(H,29,30) | 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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200971
(CHEMBL3941289 | US10087187, Compound 10)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(N)=O Show InChI InChI=1S/C21H22F3N5O2/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)26-20-15(19(25)30)11-18(27-29(17)20)28-6-8-31-9-7-28/h3-5,11H,6-10H2,1-2H3,(H2,25,30) | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200972
(CHEMBL3974658 | US10087187, Compound 22)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(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 | >513 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200971
(CHEMBL3941289 | US10087187, Compound 10)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(N)=O Show InChI InChI=1S/C21H22F3N5O2/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)26-20-15(19(25)30)11-18(27-29(17)20)28-6-8-31-9-7-28/h3-5,11H,6-10H2,1-2H3,(H2,25,30) | 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 | >513 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200930
(CHEMBL3928423 | US10087187, Compound 66)Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3 | 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 | >513 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200972
(CHEMBL3974658 | US10087187, Compound 22)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(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 | >513 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200969
(CHEMBL3970860 | US10087187, Compound 9)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C21H21F3N4O3/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)25-19-15(20(29)30)11-18(26-28(17)19)27-6-8-31-9-7-27/h3-5,11H,6-10H2,1-2H3,(H,29,30) | 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 | 513 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50200929
(CHEMBL3894812)Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | n/a | >3.02E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kalpha (108 to 1068 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200930
(CHEMBL3928423 | US10087187, Compound 66)Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3 | 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 | n/a | 138 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50200959
(CHEMBL3903747)Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36) | 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 | n/a | >3.02E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kgamma (144 to 1102 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50200968
(CHEMBL3983623 | US10087187, Compound 46)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30) | 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 | n/a | 741 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kgamma (144 to 1102 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50200969
(CHEMBL3970860 | US10087187, Compound 9)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C21H21F3N4O3/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)25-19-15(20(29)30)11-18(26-28(17)19)27-6-8-31-9-7-27/h3-5,11H,6-10H2,1-2H3,(H,29,30) | 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 | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50200970
(CHEMBL3955003 | US10087187, Compound 52)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3 | 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 | n/a | >3.02E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50200973
(CHEMBL3897548 | US10087187, Compound 1)Show SMILES CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H31F3N6O3S/c1-16-17(5-4-6-18(16)24(25,26)27)13-21-20(15-31(2)9-12-37(3,34)35)29-23-19(28)14-22(30-33(21)23)32-7-10-36-11-8-32/h4-6,14H,7-13,15,28H2,1-3H3 | 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 | n/a | >3.02E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kgamma (144 to 1102 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50200972
(CHEMBL3974658 | US10087187, Compound 22)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(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 | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50200959
(CHEMBL3903747)Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36) | 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 | n/a | >3.02E+4 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kalpha (108 to 1068 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200973
(CHEMBL3897548 | US10087187, Compound 1)Show SMILES CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H31F3N6O3S/c1-16-17(5-4-6-18(16)24(25,26)27)13-21-20(15-31(2)9-12-37(3,34)35)29-23-19(28)14-22(30-33(21)23)32-7-10-36-11-8-32/h4-6,14H,7-13,15,28H2,1-3H3 | 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 | n/a | 513 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50200929
(CHEMBL3894812)Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | n/a | 6.76E+3 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50200970
(CHEMBL3955003 | US10087187, Compound 52)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3 | 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 | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kalpha (108 to 1068 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200975
(CHEMBL3916621 | US10087187, Compound 2)Show SMILES Cc1c(Cc2c(CNCCS(C)(=O)=O)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C23H29F3N6O3S/c1-15-16(4-3-5-17(15)23(24,25)26)12-20-19(14-28-6-11-36(2,33)34)29-22-18(27)13-21(30-32(20)22)31-7-9-35-10-8-31/h3-5,13,28H,6-12,14,27H2,1-2H3 | 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 | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200974
(CHEMBL3975628 | US10087187, Compound 6)Show SMILES Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H22F3N5O/c1-12-14(4-3-5-15(12)20(21,22)23)10-17-13(2)25-19-16(24)11-18(26-28(17)19)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3 | 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 | n/a | 171 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200959
(CHEMBL3903747)Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36) | 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 | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200929
(CHEMBL3894812)Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27/h2-4,10,29H,5-9,11,24H2,1H3 | 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 | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200969
(CHEMBL3970860 | US10087187, Compound 9)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C21H21F3N4O3/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)25-19-15(20(29)30)11-18(26-28(17)19)27-6-8-31-9-7-27/h3-5,11H,6-10H2,1-2H3,(H,29,30) | 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 | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50200973
(CHEMBL3897548 | US10087187, Compound 1)Show SMILES CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H31F3N6O3S/c1-16-17(5-4-6-18(16)24(25,26)27)13-21-20(15-31(2)9-12-37(3,34)35)29-23-19(28)14-22(30-33(21)23)32-7-10-36-11-8-32/h4-6,14H,7-13,15,28H2,1-3H3 | 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 | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |