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BDBM50400339 CHEMBL2181661

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOCC1)c1ncccn1

InChI Key: InChIKey=GONDQBGXBXPIQL-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50400339   
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50400339
PNG
(CHEMBL2181661)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOCC1)c1ncccn1
Show InChI InChI=1S/C24H28N8O2/c1-2-25-24(33)28-18-6-4-17(5-7-18)21-29-20-16-32(23-26-9-3-10-27-23)11-8-19(20)22(30-21)31-12-14-34-15-13-31/h3-7,9-10H,2,8,11-16H2,1H3,(H2,25,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR by FRET assay


J Med Chem 55: 10958-71 (2012)


Article DOI: 10.1021/jm301389h
BindingDB Entry DOI: 10.7270/Q2125TSR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50400339
PNG
(CHEMBL2181661)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOCC1)c1ncccn1
Show InChI InChI=1S/C24H28N8O2/c1-2-25-24(33)28-18-6-4-17(5-7-18)21-29-20-16-32(23-26-9-3-10-27-23)11-8-19(20)22(30-21)31-12-14-34-15-13-31/h3-7,9-10H,2,8,11-16H2,1H3,(H2,25,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay


ACS Med Chem Lett 4: 103-7 (2013)


Article DOI: 10.1021/ml3003132
BindingDB Entry DOI: 10.7270/Q28C9XK3
More data for this
Ligand-Target Pair