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BDBM223370 US9315520, 57::US9744173, Example 57

SMILES: C[C@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2

InChI Key: InChIKey=WFZJVMNFHPJIGJ-DEFUNYHZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 223370   
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))
BDBM223370
PNG
(US9315520, 57 | US9744173, Example 57)
Show SMILES C[C@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2
Show InChI InChI=1S/C19H23FN6O3S2/c1-10(20)6-28-15-5-22-13(4-23-15)16(27)24-14-8-30-17(25-14)19-9-29-11(2)3-12(19)7-31-18(21)26-19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H2,21,26)(H,24,27)/t10-,11-,12-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 372n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...


US Patent US9744173 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM223370
PNG
(US9315520, 57 | US9744173, Example 57)
Show SMILES C[C@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2
Show InChI InChI=1S/C19H23FN6O3S2/c1-10(20)6-28-15-5-22-13(4-23-15)16(27)24-14-8-30-17(25-14)19-9-29-11(2)3-12(19)7-31-18(21)26-19/h4-5,8,10-12H,3,6-7,9H2,1-2H3,(H2,21,26)(H,24,27)/t10-,11-,12-,19-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 372n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...


US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair