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BDBM172310 US9090564, 124

SMILES: CCc1nccc(-c2cc(C)nc(C)c2)c1C#Cc1ccc(N)nc1C

InChI Key: InChIKey=ABNIDWHBBSGUDX-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172310   
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))
BDBM172310
PNG
(US9090564, 124)
Show SMILES CCc1nccc(-c2cc(C)nc(C)c2)c1C#Cc1ccc(N)nc1C
Show InChI InChI=1S/C22H22N4/c1-5-21-20(8-6-17-7-9-22(23)26-16(17)4)19(10-11-24-21)18-12-14(2)25-15(3)13-18/h7,9-13H,5H2,1-4H3,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Kinase reaction conditions:400 nM GFP-4E-BP1, 8 uM ATP, -150 ng/mL mTOR, 50 mM HEPES pH 7.5, 0.01% Polysorbate 20, 1 mM EGTA, 10 mM MnC12, and variab...


US Patent US9090564 (2015)


BindingDB Entry DOI: 10.7270/Q2VD6X73
More data for this
Ligand-Target Pair