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BDBM50343415 CHEMBL1774941::homotemsirolimus B

SMILES: CC[C@H]1C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(C)=C\[C@@H](C)C(=O)C[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)\C(C)=C\C=C\C=C\1)[C@H](C)C[C@@H]1CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C1)OC

InChI Key: InChIKey=XDJOFARUBVHYGE-LELSXQNASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343415   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50343415
PNG
(CHEMBL1774941 | homotemsirolimus B)
Show SMILES CC[C@H]1C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(C)=C\[C@@H](C)C(=O)C[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)\C(C)=C\C=C\C=C\1)[C@H](C)C[C@@H]1CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C1)OC
Show InChI InChI=1S/C57H89NO16/c1-12-40-19-15-13-14-18-34(2)46(69-9)30-42-23-21-39(7)57(68,74-42)52(64)53(65)58-25-17-16-20-43(58)54(66)72-47(31-44(61)35(3)26-37(5)49(62)51(71-11)50(63)38(6)28-40)36(4)27-41-22-24-45(48(29-41)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,26,35-36,38-43,45-49,51,59-60,62,68H,12,16-17,20-25,27-33H2,1-11H3/b14-13+,19-15+,34-18+,37-26+/t35-,36-,38-,39-,40-,41+,42+,43+,45-,46+,47+,48-,49-,51-,57-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay


J Nat Prod 74: 547-53 (2011)

More data for this
Ligand-Target Pair