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BDBM50272887 CHEMBL4126888

SMILES: CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(Cl)c1

InChI Key: InChIKey=YYGKOOZHHBFTGY-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272887   
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))
BDBM50272887
PNG
(CHEMBL4126888)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(Cl)c1
Show InChI InChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26)
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing human APP695 assessed as decrease in amyloid beta 42 production by electrochemiluminescenc...


ACS Med Chem Lett 10: 1249-1250 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00342
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50272887
PNG
(CHEMBL4126888)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(Cl)c1
Show InChI InChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...


Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair