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BDBM50392840 CHEMBL2151138

SMILES: CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N

InChI Key: InChIKey=MLNWGLXMDFUREO-AGDOHHJYNA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392840   
Target
(Institution)
LigandTarget
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
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50392840
PNG
(CHEMBL2151138)
Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7|
Show InChI InChI=1/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
57n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50392840
PNG
(CHEMBL2151138)
Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7|
Show InChI InChI=1/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair