Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50031196 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 |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308782
(4-{3-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-t...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C25H27N9O3/c1-15(2)34-24-20(31-32-34)23(33-11-13-37-14-12-33)29-22(30-24)17-5-9-19(10-6-17)28-25(36)27-18-7-3-16(4-8-18)21(26)35/h3-10,15H,11-14H2,1-2H3,(H2,26,35)(H2,27,28,36) | 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 | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308780
(1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35) | 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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308784
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C28H33N9O3/c1-19(2)37-27-24(33-34-37)26(36-13-17-40-18-14-36)31-25(32-27)20-3-5-21(6-4-20)29-28(38)30-22-7-9-23(10-8-22)35-11-15-39-16-12-35/h3-10,19H,11-18H2,1-2H3,(H2,29,30,38) | 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 | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308781
(4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C24H25N9O3/c1-2-33-23-19(30-31-33)22(32-11-13-36-14-12-32)28-21(29-23)16-5-9-18(10-6-16)27-24(35)26-17-7-3-15(4-8-17)20(25)34/h3-10H,2,11-14H2,1H3,(H2,25,34)(H2,26,27,35) | 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 | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308788
(CHEMBL590587 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C28H34N10O3/c1-4-38-26-23(34-35-38)25(37-15-17-41-18-16-37)32-24(33-26)19-5-9-21(10-6-19)30-28(40)31-22-11-7-20(8-12-22)27(39)29-13-14-36(2)3/h5-12H,4,13-18H2,1-3H3,(H,29,39)(H2,30,31,40) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308769
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-11-13-34-14-12-31)27-20(28-22)16-3-5-17(6-4-16)25-23(33)26-18-7-9-24-10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308785
(CHEMBL591357 | N-Ethyl-4-({[4-(3-ethyl-7-morpholin...)Show SMILES CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308774
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1)Nc1cccnc1 Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-2-1-9-24-14-17)25-16-5-3-15(4-6-16)20-27-21(31-10-12-34-13-11-31)19-22(28-20)32(30-29-19)18-7-8-18/h1-6,9,14,18H,7-8,10-13H2,(H2,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308772
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-5-7-17(8-6-16)25-23(33)26-18-4-3-9-24-14-18/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308768
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-11-13-33-14-12-30)26-19(27-21)15-3-5-16(6-4-15)24-22(32)25-17-7-9-23-10-8-17/h3-10H,2,11-14H2,1H3,(H2,23,24,25,32) | 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 | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308786
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H29N9O3/c1-4-35-24-21(31-32-35)23(34-13-15-38-16-14-34)29-22(30-24)17-5-9-19(10-6-17)27-26(37)28-20-11-7-18(8-12-20)25(36)33(2)3/h5-12H,4,13-16H2,1-3H3,(H2,27,28,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308770
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1 Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-7-9-24-10-8-17)25-16-3-1-15(2-4-16)20-27-21(31-11-13-34-14-12-31)19-22(28-20)32(30-29-19)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H2,24,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308771
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-10-12-33-13-11-30)26-19(27-21)15-5-7-16(8-6-15)24-22(32)25-17-4-3-9-23-14-17/h3-9,14H,2,10-13H2,1H3,(H2,24,25,32) | 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 | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308788
(CHEMBL590587 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C28H34N10O3/c1-4-38-26-23(34-35-38)25(37-15-17-41-18-16-37)32-24(33-26)19-5-9-21(10-6-19)30-28(40)31-22-11-7-20(8-12-22)27(39)29-13-14-36(2)3/h5-12H,4,13-18H2,1-3H3,(H,29,39)(H2,30,31,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308790
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCN(C)CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C31H39N11O3/c1-3-42-29-26(37-38-42)28(41-18-20-45-21-19-41)35-27(36-29)22-4-8-24(9-5-22)33-31(44)34-25-10-6-23(7-11-25)30(43)32-12-13-40-16-14-39(2)15-17-40/h4-11H,3,12-21H2,1-2H3,(H,32,43)(H2,33,34,44) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308789
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCc2ccccn2)cc1)N1CCOCC1 Show InChI InChI=1S/C31H32N10O3/c1-2-41-29-26(38-39-41)28(40-17-19-44-20-18-40)36-27(37-29)21-6-10-24(11-7-21)34-31(43)35-25-12-8-22(9-13-25)30(42)33-16-14-23-5-3-4-15-32-23/h3-13,15H,2,14,16-20H2,1H3,(H,33,42)(H2,34,35,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308786
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H29N9O3/c1-4-35-24-21(31-32-35)23(34-13-15-38-16-14-34)29-22(30-24)17-5-9-19(10-6-17)27-26(37)28-20-11-7-18(8-12-20)25(36)33(2)3/h5-12H,4,13-16H2,1-3H3,(H2,27,28,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308767
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308779
(1-(4-Dimethylaminophenyl)-3-[4-(3-isopropyl-7-morp...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H31N9O2/c1-17(2)35-25-22(31-32-35)24(34-13-15-37-16-14-34)29-23(30-25)18-5-7-19(8-6-18)27-26(36)28-20-9-11-21(12-10-20)33(3)4/h5-12,17H,13-16H2,1-4H3,(H2,27,28,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308767
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308791
(CHEMBL590594 | N-[3-(Dimethylamino)propyl]-4-({[4-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H36N10O3/c1-4-39-27-24(35-36-39)26(38-16-18-42-19-17-38)33-25(34-27)20-6-10-22(11-7-20)31-29(41)32-23-12-8-21(9-13-23)28(40)30-14-5-15-37(2)3/h6-13H,4-5,14-19H2,1-3H3,(H,30,40)(H2,31,32,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308781
(4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C24H25N9O3/c1-2-33-23-19(30-31-33)22(32-11-13-36-14-12-32)28-21(29-23)16-5-9-18(10-6-16)27-24(35)26-17-7-3-15(4-8-17)20(25)34/h3-10H,2,11-14H2,1H3,(H2,25,34)(H2,26,27,35) | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308791
(CHEMBL590594 | N-[3-(Dimethylamino)propyl]-4-({[4-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H36N10O3/c1-4-39-27-24(35-36-39)26(38-16-18-42-19-17-38)33-25(34-27)20-6-10-22(11-7-20)31-29(41)32-23-12-8-21(9-13-23)28(40)30-14-5-15-37(2)3/h6-13H,4-5,14-19H2,1-3H3,(H,30,40)(H2,31,32,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308776
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1 Show InChI InChI=1S/C21H22N8O2S/c1-2-29-20-17(26-27-29)19(28-9-11-31-12-10-28)24-18(25-20)14-5-7-15(8-6-14)22-21(30)23-16-4-3-13-32-16/h3-8,13H,2,9-12H2,1H3,(H2,22,23,30) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308783
(CHEMBL592063 | methyl 4-(3-(4-(3-ethyl-7-morpholin...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)OC)cc1)N1CCOCC1 Show InChI InChI=1S/C25H26N8O4/c1-3-33-23-20(30-31-33)22(32-12-14-37-15-13-32)28-21(29-23)16-4-8-18(9-5-16)26-25(35)27-19-10-6-17(7-11-19)24(34)36-2/h4-11H,3,12-15H2,1-2H3,(H2,26,27,35) | 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 | 2.55 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308787
(CHEMBL589412 | N-Butyl-4-({[4-(3-ethyl-7-morpholin...)Show SMILES CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1 Show InChI InChI=1S/C28H33N9O3/c1-3-5-14-29-27(38)20-8-12-22(13-9-20)31-28(39)30-21-10-6-19(7-11-21)24-32-25(36-15-17-40-18-16-36)23-26(33-24)37(4-2)35-34-23/h6-13H,3-5,14-18H2,1-2H3,(H,29,38)(H2,30,31,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308773
(1-[4-(3-Methyl-7-morpholin-4-yl-3H-[1,2,3]-triazol...)Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C21H21N9O2/c1-29-19-17(27-28-29)20(30-9-11-32-12-10-30)26-18(25-19)14-4-6-15(7-5-14)23-21(31)24-16-3-2-8-22-13-16/h2-8,13H,9-12H2,1H3,(H2,23,24,31) | 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 | 2.95 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308785
(CHEMBL591357 | N-Ethyl-4-({[4-(3-ethyl-7-morpholin...)Show SMILES CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308776
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1 Show InChI InChI=1S/C21H22N8O2S/c1-2-29-20-17(26-27-29)19(28-9-11-31-12-10-28)24-18(25-20)14-5-7-15(8-6-14)22-21(30)23-16-4-3-13-32-16/h3-8,13H,2,9-12H2,1H3,(H2,22,23,30) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308777
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1 Show InChI InChI=1S/C22H22N8O2S/c31-22(24-17-2-1-13-33-17)23-15-5-3-14(4-6-15)19-25-20(29-9-11-32-12-10-29)18-21(26-19)30(28-27-18)16-7-8-16/h1-6,13,16H,7-12H2,(H2,23,24,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308777
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1 Show InChI InChI=1S/C22H22N8O2S/c31-22(24-17-2-1-13-33-17)23-15-5-3-14(4-6-15)19-25-20(29-9-11-32-12-10-29)18-21(26-19)30(28-27-18)16-7-8-16/h1-6,13,16H,7-12H2,(H2,23,24,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308790
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCN(C)CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C31H39N11O3/c1-3-42-29-26(37-38-42)28(41-18-20-45-21-19-41)35-27(36-29)22-4-8-24(9-5-22)33-31(44)34-25-10-6-23(7-11-25)30(43)32-12-13-40-16-14-39(2)15-17-40/h4-11H,3,12-21H2,1-2H3,(H,32,43)(H2,33,34,44) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308780
(1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308782
(4-{3-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-t...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C25H27N9O3/c1-15(2)34-24-20(31-32-34)23(33-11-13-37-14-12-33)29-22(30-24)17-5-9-19(10-6-17)28-25(36)27-18-7-3-16(4-8-18)21(26)35/h3-10,15H,11-14H2,1-2H3,(H2,26,35)(H2,27,28,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308775
(CHEMBL589600 | [4-(3-Methyl-7-morpholin-4-yl-3H-[1...)Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1 Show InChI InChI=1S/C20H20N8O2S/c1-27-18-16(25-26-27)19(28-8-10-30-11-9-28)24-17(23-18)13-4-6-14(7-5-13)21-20(29)22-15-3-2-12-31-15/h2-7,12H,8-11H2,1H3,(H2,21,22,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR by DELFIA |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308768
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-11-13-33-14-12-30)26-19(27-21)15-3-5-16(6-4-15)24-22(32)25-17-7-9-23-10-8-17/h3-10H,2,11-14H2,1H3,(H2,23,24,25,32) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308769
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-11-13-34-14-12-31)27-20(28-22)16-3-5-17(6-4-16)25-23(33)26-18-7-9-24-10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308787
(CHEMBL589412 | N-Butyl-4-({[4-(3-ethyl-7-morpholin...)Show SMILES CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1 Show InChI InChI=1S/C28H33N9O3/c1-3-5-14-29-27(38)20-8-12-22(13-9-20)31-28(39)30-21-10-6-19(7-11-21)24-32-25(36-15-17-40-18-16-36)23-26(33-24)37(4-2)35-34-23/h6-13H,3-5,14-18H2,1-2H3,(H,29,38)(H2,30,31,39) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308770
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1 Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-7-9-24-10-8-17)25-16-3-1-15(2-4-16)20-27-21(31-11-13-34-14-12-31)19-22(28-20)32(30-29-19)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H2,24,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308775
(CHEMBL589600 | [4-(3-Methyl-7-morpholin-4-yl-3H-[1...)Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1 Show InChI InChI=1S/C20H20N8O2S/c1-27-18-16(25-26-27)19(28-8-10-30-11-9-28)24-17(23-18)13-4-6-14(7-5-13)21-20(29)22-15-3-2-12-31-15/h2-7,12H,8-11H2,1H3,(H2,21,22,29) | 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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308789
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCc2ccccn2)cc1)N1CCOCC1 Show InChI InChI=1S/C31H32N10O3/c1-2-41-29-26(38-39-41)28(40-17-19-44-20-18-40)36-27(37-29)21-6-10-24(11-7-21)34-31(43)35-25-12-8-22(9-13-25)30(42)33-16-14-23-5-3-4-15-32-23/h3-13,15H,2,14,16-20H2,1H3,(H,33,42)(H2,34,35,43) | 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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50308767
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308778
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccnc(C)c2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-3-32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-4-6-17(7-5-16)25-23(33)26-18-8-9-24-15(2)14-18/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50308791
(CHEMBL590594 | N-[3-(Dimethylamino)propyl]-4-({[4-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H36N10O3/c1-4-39-27-24(35-36-39)26(38-16-18-42-19-17-38)33-25(34-27)20-6-10-22(11-7-20)31-29(41)32-23-12-8-21(9-13-23)28(40)30-14-5-15-37(2)3/h6-13H,4-5,14-19H2,1-3H3,(H,30,40)(H2,31,32,41) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50308767
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308771
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-10-12-33-13-11-30)26-19(27-21)15-5-7-16(8-6-15)24-22(32)25-17-4-3-9-23-14-17/h3-9,14H,2,10-13H2,1H3,(H2,24,25,32) | 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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308772
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-5-7-17(8-6-16)25-23(33)26-18-4-3-9-24-14-18/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308773
(1-[4-(3-Methyl-7-morpholin-4-yl-3H-[1,2,3]-triazol...)Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C21H21N9O2/c1-29-19-17(27-28-29)20(30-9-11-32-12-10-30)26-18(25-19)14-4-6-15(7-5-14)23-21(31)24-16-3-2-8-22-13-16/h2-8,13H,9-12H2,1H3,(H2,23,24,31) | 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 | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50308774
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1)Nc1cccnc1 Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-2-1-9-24-14-17)25-16-5-3-15(4-6-16)20-27-21(31-10-12-34-13-11-31)19-22(28-20)32(30-29-19)18-7-8-18/h1-6,9,14,18H,7-8,10-13H2,(H2,25,26,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50308776
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1 Show InChI InChI=1S/C21H22N8O2S/c1-2-29-20-17(26-27-29)19(28-9-11-31-12-10-28)24-18(25-20)14-5-7-15(8-6-14)22-21(30)23-16-4-3-13-32-16/h3-8,13H,2,9-12H2,1H3,(H2,22,23,30) | 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 | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma by fluorescence polarization format assay |
J Med Chem 53: 798-810 (2010)
Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ |
More data for this Ligand-Target Pair | |