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BDBM50352886 CHEMBL1824355

SMILES: CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F

InChI Key: InChIKey=VCKGJRZFNMIOEB-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50352886   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair