Found 250 hits of kd data for polymerid = 2112,9137 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM315477
(US10172858, Table 1.1 | US10172858, Table 1.22)Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0920 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50429701
(AZD-2014 | CHEMBL2336325 | US9102670, 1ap)Show SMILES CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469457
(CHEMBL4286698)Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469457
(CHEMBL4286698)Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50328584
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description Binding affinity to mTOR |
J Med Chem 53: 7146-55 (2010)
Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM36609
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to mTOR FKBP12 site (unknown origin) |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50559193
(CHEMBL4749352)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length MTOR (L1382 to W2549 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620 BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50469458
(CHEMBL4279703)Show SMILES CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1 Show InChI InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50559197
(CHEMBL4741511)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1(C)C |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length MTOR (L1382 to W2549 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00620 BindingDB Entry DOI: 10.7270/Q2SN0DNS |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50308135
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uM |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50088378
(Afinitor | Afinitor Disperz | CHEBI:68478 | Everol...)Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:32,51,t:47,49| Show InChI InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to mTOR FKBP12 site (unknown origin) |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MTOR kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50358204
(CHEMBL1922094)Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r| Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uM |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505416
(CHEMBL4574759)Show SMILES [H][C@]12Cc3c(nc(nc3N3C4CCC3COC4)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19-16(7-15-11-27-6-5-25(15)19)20(24-18)26-13-2-3-14(26)10-28-9-13/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13?,14?,15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505410
(CHEMBL4551080)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50535043
(CHEMBL4577549)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Binding affinity to mTOR in mixed human HeLa/Jurkat/K562 cell lysate by LC-MS based chemoproteomic assay |
ACS Med Chem Lett 7: 768-73 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00149 BindingDB Entry DOI: 10.7270/Q2HH6PKM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50535043
(CHEMBL4577549)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Binding affinity to mTOR in mixed human HEK293/K562/placenta cell lysate by LC-MS based chemoproteomic assay |
ACS Med Chem Lett 7: 768-73 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00149 BindingDB Entry DOI: 10.7270/Q2HH6PKM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50535043
(CHEMBL4577549)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Binding affinity to mTOR in mixed human HeLa/Jurkat/K562 cell lysate by LC-MS based chemoproteomic assay |
ACS Med Chem Lett 7: 768-73 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00149 BindingDB Entry DOI: 10.7270/Q2HH6PKM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50535043
(CHEMBL4577549)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Binding affinity to mTOR in mixed human HEK293/K562/placenta cell lysate by LC-MS based chemoproteomic assay |
ACS Med Chem Lett 7: 768-73 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00149 BindingDB Entry DOI: 10.7270/Q2HH6PKM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50468033
(CHEMBL4293970)Show SMILES CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23 |c:9| Show InChI InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9H,19H2,1-3H3,(H,22,24)/b5-4+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description Binding affinity to human mTOR after 1 hr by KINOMEscan assay |
J Med Chem 61: 10463-10472 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00975 BindingDB Entry DOI: 10.7270/Q24F1TD1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50240975
(CHEMBL4084907)Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uM |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MTOR kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505407
(CHEMBL4436124)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)16-14-6-13-10-27-5-3-25(13)17(14)23-15(22-16)12-7-20-18(19)21-8-12/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21)/t11-,13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM268079
(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)Show SMILES C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by Kinomescan method |
J Med Chem 63: 7293-7325 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092783
(CHEMBL3586404)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50505414
(CHEMBL4594206)Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C19H24N6O2/c1-12-10-26-6-4-24(12)18-15-8-14-11-27-7-5-25(14)19(15)23-17(22-18)13-2-3-16(20)21-9-13/h2-3,9,12,14H,4-8,10-11H2,1H3,(H2,20,21)/t12-,14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay |
J Med Chem 62: 8609-8630 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50341494
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,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 | 39 | n/a | n/a | n/a | n/a | n/a |
Korea Advanced Institute of Science and Technology
Curated by ChEMBL
| Assay Description Binding affinity to mTOR by high-throughput binding assay |
J Med Chem 54: 2455-66 (2011)
Article DOI: 10.1021/jm101582z BindingDB Entry DOI: 10.7270/Q2ZP46F1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uM |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288377
(US10087187, Compound 68)Show SMILES Cc1c(Nc2c(CO)nc3c(cc(nn23)N2CCOC(CO)C2)-c2c[nH]cn2)cccc1C(F)(F)F | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50240973
(CHEMBL4102855)Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22) | 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 | 61 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assay |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288394
(US10087187, Compound 89)Show SMILES Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)-c1ccn[nH]1 Show InChI InChI=1S/C24H28N8O2/c1-17-23(27-20-4-2-3-5-21(20)30-8-12-33-13-9-30)32-24(26-17)18(19-6-7-25-28-19)16-22(29-32)31-10-14-34-15-11-31/h2-7,16,27H,8-15H2,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288331
(US10087187, Compound 21)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2ccn[nH]2)cccc1C(F)(F)F Show InChI InChI=1S/C23H23F3N6O2/c1-14-15(3-2-4-17(14)23(24,25)26)11-20-19(13-33)28-22-16(18-5-6-27-29-18)12-21(30-32(20)22)31-7-9-34-10-8-31/h2-6,12,33H,7-11,13H2,1H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288376
(US10087187, Compound 67)Show SMILES Cc1c(Cl)cccc1Nc1c(CO)nc2c(cc(nn12)N1CCOCC1)-c1c[nH]cn1 Show InChI InChI=1S/C21H22ClN7O2/c1-13-15(22)3-2-4-16(13)25-21-18(11-30)26-20-14(17-10-23-12-24-17)9-19(27-29(20)21)28-5-7-31-8-6-28/h2-4,9-10,12,25,30H,5-8,11H2,1H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MTOR kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(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
| US Patent
| n/a | n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(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 | 355 | 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)) | 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 | 355 | 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)) | BDBM288335
(US10087187, Compound 25 | US10087187, Compound 27)Show SMILES CC1CN(CCO1)c1cc(-c2c[nH]cn2)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288315
(US10087187, Compound 8)Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ccn[nH]1 Show InChI InChI=1S/C23H23F3N6O/c1-14-16(4-3-5-18(14)23(24,25)26)12-20-15(2)28-22-17(19-6-7-27-29-19)13-21(30-32(20)22)31-8-10-33-11-9-31/h3-7,13H,8-12H2,1-2H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 525 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25084
(3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]ph...)Show SMILES Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 Show InChI InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MTOR kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288359
(US10087187, Compound 50)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1)-c1c[nH]cn1 Show InChI InChI=1S/C21H22FN7O/c1-13-16(22)4-3-5-17(13)26-20-14(2)25-21-15(18-11-23-12-24-18)10-19(27-29(20)21)28-6-8-30-9-7-28/h3-5,10-12,26H,6-9H2,1-2H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288395
(US10087187, Compound 91)Show SMILES Cc1c(Cc2c(nc3c(N)cc(nn23)N2CCOCC2)C(O)CN)cccc1C(F)(F)F Show InChI InChI=1S/C21H25F3N6O2/c1-12-13(3-2-4-14(12)21(22,23)24)9-16-19(17(31)11-25)27-20-15(26)10-18(28-30(16)20)29-5-7-32-8-6-29/h2-4,10,17,31H,5-9,11,25-26H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288398
(US10087187, Compound 97)Show SMILES Cc1c(F)cccc1Cc1c(CNCCO)nc2c(N)cc(nn12)N1CCOCC1 Show InChI InChI=1S/C21H27FN6O2/c1-14-15(3-2-4-16(14)22)11-19-18(13-24-5-8-29)25-21-17(23)12-20(26-28(19)21)27-6-9-30-10-7-27/h2-4,12,24,29H,5-11,13,23H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 912 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288335
(US10087187, Compound 25 | US10087187, Compound 27)Show SMILES CC1CN(CCO1)c1cc(-c2c[nH]cn2)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(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 | 1.23E+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 | |
Serine/threonine-protein kinase mTOR
(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
| US Patent
| n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM288329
(US10087187, Compound 19)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2cnc[nH]2)cccc1C(F)(F)F Show InChI InChI=1S/C23H23F3N6O2/c1-14-15(3-2-4-17(14)23(24,25)26)9-20-19(12-33)29-22-16(18-11-27-13-28-18)10-21(30-32(20)22)31-5-7-34-8-6-31/h2-4,10-11,13,33H,5-9,12H2,1H3,(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(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
| US Patent
| n/a | n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |