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BDBM50484998 CHEMBL2019013

SMILES: Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=NDLLLHDYGGVVIV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50484998   
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
Presenilin-1


(Homo sapiens (Human))
BDBM50484998
PNG
(CHEMBL2019013)
Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClF5NO3S/c23-14-1-4-16(5-2-14)33(31,32)21(17-13-15(24)3-6-18(17)25)9-11-29(12-10-21)19(30)20(7-8-20)22(26,27)28/h1-6,13H,7-12H2
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 productio...


Bioorg Med Chem Lett 22: 3203-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.038
BindingDB Entry DOI: 10.7270/Q2D221GG
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50484998
PNG
(CHEMBL2019013)
Show SMILES Fc1ccc(F)c(c1)C1(CCN(CC1)C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClF5NO3S/c23-14-1-4-16(5-2-14)33(31,32)21(17-13-15(24)3-6-18(17)25)9-11-29(12-10-21)19(30)20(7-8-20)22(26,27)28/h1-6,13H,7-12H2
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 productio...


Bioorg Med Chem Lett 22: 3203-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.038
BindingDB Entry DOI: 10.7270/Q2D221GG
More data for this
Ligand-Target Pair