Found 6 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50535043' 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)) | 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
| | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mTOR in human whole blood assessed as reduction in alphaCD3/alphaCD28 and IL-2-induced IFNgamma secretion preincubated for 1 hr followe... |
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
| 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)) | 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 | 6.90 | 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 | |
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