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BDBM50389280 CHEMBL2063760

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2CC[C@H](C1)O2

InChI Key: InChIKey=CHANNKWYSHJTBZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50389280   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50389280
PNG
(CHEMBL2063760)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2CC[C@H](C1)O2
Show InChI InChI=1S/C21H25N5O4S/c1-2-22-21(27)23-14-5-3-13(4-6-14)19-24-18-12-31(28,29)11-17(18)20(25-19)26-9-15-7-8-16(10-26)30-15/h3-6,15-16H,2,7-12H2,1H3,(H2,22,23,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5114-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.104
BindingDB Entry DOI: 10.7270/Q29024WG
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50389280
PNG
(CHEMBL2063760)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2CC[C@H](C1)O2
Show InChI InChI=1S/C21H25N5O4S/c1-2-22-21(27)23-14-5-3-13(4-6-14)19-24-18-12-31(28,29)11-17(18)20(25-19)26-9-15-7-8-16(10-26)30-15/h3-6,15-16H,2,7-12H2,1H3,(H2,22,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR-mediated AKT phosphorylation at Ser473 by cell based assay


Bioorg Med Chem Lett 22: 5114-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.104
BindingDB Entry DOI: 10.7270/Q29024WG
More data for this
Ligand-Target Pair