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BDBM172231 US9090564, 45

SMILES: COCCN(C)C(=O)c1cc(ccc1Cl)-c1ccnc(C)c1C#Cc1ccc(N)nc1

InChI Key: InChIKey=MLDWFYSPLJOXEL-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 = 172231   
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))
BDBM172231
PNG
(US9090564, 45)
Show SMILES COCCN(C)C(=O)c1cc(ccc1Cl)-c1ccnc(C)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C24H23ClN4O2/c1-16-19(7-4-17-5-9-23(26)28-15-17)20(10-11-27-16)18-6-8-22(25)21(14-18)24(30)29(2)12-13-31-3/h5-6,8-11,14-15H,12-13H2,1-3H3,(H2,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/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