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BDBM190773 US9181236, 62g

InChI string: InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21-/s2

SMILES: COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1

InChI Key: InChIKey=ZLCTZYMVZJYZTD-VSVVGSIZNA-N

Data: 2 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 2 hits for monomerid = 190773   
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 2 (BACE2)


(Homo sapiens (human))
BDBM190773
PNG
(US9181236, 62g)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISE...


US Patent US9181236 (2015)

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


(Homo sapiens (Human))
BDBM190773
PNG
(US9181236, 62g)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
6.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair