Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50328601' 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)) | BDBM50328601
(1-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-9-(q...)Show SMILES COc1cc(ccc1-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1)N1CCC(N)CC1 |(15.76,-21.17,;15.76,-22.71,;14.43,-23.49,;13.09,-22.72,;11.76,-23.49,;11.76,-25.03,;13.09,-25.81,;14.43,-25.04,;15.75,-25.83,;15.77,-27.35,;17.1,-28.11,;18.42,-27.34,;18.4,-25.81,;17.07,-25.05,;17.05,-23.51,;17.11,-29.65,;15.77,-30.43,;14.43,-29.66,;13.11,-30.42,;11.78,-29.66,;11.78,-28.12,;13.11,-27.35,;14.43,-28.12,;10.44,-27.35,;10.45,-25.8,;9.11,-25.03,;7.78,-25.81,;6.44,-25.04,;5.1,-25.81,;5.11,-27.37,;6.45,-28.13,;7.78,-27.36,;9.11,-28.12,;10.43,-22.72,;9.1,-23.48,;7.76,-22.72,;7.76,-21.17,;6.43,-20.41,;9.1,-20.39,;10.43,-21.17,)| Show InChI InChI=1S/C33H29N5O2/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24/h2-11,16-20,25H,12-15,34H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of human mTOR complex 1 after 30 mins by FRET assay |
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
(Mus musculus (Mouse)) | BDBM50328601
(1-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-9-(q...)Show SMILES COc1cc(ccc1-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1)N1CCC(N)CC1 |(15.76,-21.17,;15.76,-22.71,;14.43,-23.49,;13.09,-22.72,;11.76,-23.49,;11.76,-25.03,;13.09,-25.81,;14.43,-25.04,;15.75,-25.83,;15.77,-27.35,;17.1,-28.11,;18.42,-27.34,;18.4,-25.81,;17.07,-25.05,;17.05,-23.51,;17.11,-29.65,;15.77,-30.43,;14.43,-29.66,;13.11,-30.42,;11.78,-29.66,;11.78,-28.12,;13.11,-27.35,;14.43,-28.12,;10.44,-27.35,;10.45,-25.8,;9.11,-25.03,;7.78,-25.81,;6.44,-25.04,;5.1,-25.81,;5.11,-27.37,;6.45,-28.13,;7.78,-27.36,;9.11,-28.12,;10.43,-22.72,;9.1,-23.48,;7.76,-22.72,;7.76,-21.17,;6.43,-20.41,;9.1,-20.39,;10.43,-21.17,)| Show InChI InChI=1S/C33H29N5O2/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24/h2-11,16-20,25H,12-15,34H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting |
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 | |
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