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BDBM50485435 CHEMBL2059014

SMILES: C[C@]1(C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1)C#N

InChI Key: InChIKey=DQLVLNIXRNYZNK-VMGRFDJRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485435   
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
Presenilin-1


(Homo sapiens (Human))		BDBM50485435
PNG
(CHEMBL2059014)
Show SMILES C[C@]1(C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1)C#N |r,wU:3.3,1.28,wD:6.6,(7.47,-26.36,;7.49,-27.9,;7.49,-29.44,;9.02,-29.44,;10.37,-30.19,;11.7,-29.41,;13.07,-30.19,;14.4,-29.41,;15.73,-30.18,;17.07,-29.41,;18.4,-30.18,;17.06,-27.87,;18.39,-28.63,;13.07,-31.73,;14.4,-32.49,;11.74,-32.5,;11.7,-27.86,;10.93,-26.53,;10.16,-27.86,;13.03,-27.1,;13.06,-25.57,;14.41,-24.82,;15.73,-25.61,;17.07,-24.85,;15.71,-27.14,;14.36,-27.9,;9.03,-27.9,;6.4,-26.81,;5.31,-25.73,)|
Show InChI InChI=1S/C18H21ClF3N3O3S/c1-17(11-23)8-12(9-17)10-25(15(16(24)26)6-7-18(20,21)22)29(27,28)14-4-2-13(19)3-5-14/h2-5,12,15H,6-10H2,1H3,(H2,24,26)/t12-,15-,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant

J Med Chem 55: 3414-24 (2012)


Article DOI: 10.1021/jm300094u
BindingDB Entry DOI: 10.7270/Q23F4SHS
More data for this
Ligand-Target Pair