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BDBM335475 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- fluoro-1,5-naphthyridin-4- yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 34

SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(F)cnc23)ncc1F

InChI Key:

Data: 3 KI

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 = 335475   
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 2


(Homo sapiens (Human))
BDBM335475
PNG
((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- ...)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(F)cnc23)ncc1F |r,c:13|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9732088 (2017)


BindingDB Entry DOI: 10.7270/Q2XD13S2
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM335475
PNG
((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- ...)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(F)cnc23)ncc1F |r,c:13|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9732088 (2017)


BindingDB Entry DOI: 10.7270/Q2XD13S2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM335475
PNG
((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((7- ...)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(F)cnc23)ncc1F |r,c:13|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.90E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9732088 (2017)


BindingDB Entry DOI: 10.7270/Q2XD13S2
More data for this
Ligand-Target Pair