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SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key:

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 3 hits for monomerid = 50596250   
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))
BDBM50596250
PNG
(CHEMBL5204704)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50596250
PNG
(CHEMBL5204704)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.42E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50596250
PNG
(CHEMBL5204704)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128463
BindingDB Entry DOI: 10.7270/Q2988C2N
More data for this
Ligand-Target Pair