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BDBM214893 US9296734, 93

SMILES: NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F

InChI Key: InChIKey=BLTKBPLCDMBXIL-XJKSGUPXSA-N

Data: 6 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 6 hits for monomerid = 214893   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM214893
PNG
(US9296734, 93)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F
Show InChI InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.84E+3n/an/an/an/an/a37



Amgen Inc

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM214893
PNG
(US9296734, 93)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F
Show InChI InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1
PDB
MMDB

Reactome pathway
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.85E+3n/an/an/an/an/a37



Amgen Inc

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM214893
PNG
(US9296734, 93)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F
Show InChI InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1
PDB
MMDB

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US Patent
n/an/a 5.57E+5n/an/an/an/a3.5n/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM214893
PNG
(US9296734, 93)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F
Show InChI InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1
PDB
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n/an/a>4.00E+4n/an/an/an/a4.2n/a



Amgen Inc

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM214893
PNG
(US9296734, 93)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F
Show InChI InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.14E+6n/an/an/an/a3.5n/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM214893
PNG
(US9296734, 93)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F
Show InChI InChI=1S/C17H13BrF5N3O2/c18-9-3-4-25-14(5-9)27-10-1-2-12(20)11(6-10)16(8-19)7-13(17(21,22)23)28-15(24)26-16/h1-6,13H,7-8H2,(H2,24,26)/t13-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 896n/an/an/an/a4.2n/a



Amgen Inc

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair