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BDBM50503131 CHEMBL4563142

SMILES: OC1(CC(=O)\C=C\c2ccc3OCOc3c2)C(=O)Nc2ccccc12

InChI Key: InChIKey=AJJYRWYJJMMKIT-FNORWQNLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50503131   
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
Target of rapamycin complex subunit LST8


(Homo sapiens)
BDBM50503131
PNG
(CHEMBL4563142)
Show SMILES OC1(CC(=O)\C=C\c2ccc3OCOc3c2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H15NO5/c21-13(7-5-12-6-8-16-17(9-12)25-11-24-16)10-19(23)14-3-1-2-4-15(14)20-18(19)22/h1-9,23H,10-11H2,(H,20,22)/b7-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 (unknown origin)


J Med Chem 61: 4656-4687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01019
More data for this
Ligand-Target Pair
Target of rapamycin complex 2 subunit MAPKAP1


(Homo sapiens)
BDBM50503131
PNG
(CHEMBL4563142)
Show SMILES OC1(CC(=O)\C=C\c2ccc3OCOc3c2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H15NO5/c21-13(7-5-12-6-8-16-17(9-12)25-11-24-16)10-19(23)14-3-1-2-4-15(14)20-18(19)22/h1-9,23H,10-11H2,(H,20,22)/b7-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of mTORC2 (unknown origin)


J Med Chem 61: 4656-4687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01019
More data for this
Ligand-Target Pair