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BDBM477886 (4S,6S)-methyl 2-amino-4-(5-((Z)-2-(5-chloropyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazine-6-carboxylate; and::US10889579, Example 106

SMILES: COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F

InChI Key: InChIKey=BERWNTPMLOPRFA-ZLHQPFQKSA-N

Data: 3 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 3 hits for monomerid = 477886   
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))
BDBM477886
PNG
((4S,6S)-methyl 2-amino-4-(5-((Z)-2-(5-chloropyridi...)
Show SMILES COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:9|
Show InChI InChI=1S/C21H20ClF2N3O2S/c1-20(11-21(2,18(28)29-3)30-19(25)27-20)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,25,27)/b16-9-/t20-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US10889579 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477886
PNG
((4S,6S)-methyl 2-amino-4-(5-((Z)-2-(5-chloropyridi...)
Show SMILES COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:9|
Show InChI InChI=1S/C21H20ClF2N3O2S/c1-20(11-21(2,18(28)29-3)30-19(25)27-20)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,25,27)/b16-9-/t20-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.10E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889579 (2021)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM477886
PNG
((4S,6S)-methyl 2-amino-4-(5-((Z)-2-(5-chloropyridi...)
Show SMILES COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:9|
Show InChI InChI=1S/C21H20ClF2N3O2S/c1-20(11-21(2,18(28)29-3)30-19(25)27-20)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,25,27)/b16-9-/t20-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US10889579 (2021)

More data for this
Ligand-Target Pair