BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.9
BDBM501185

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM501185
PNG
(US11021493, Example 104)
Show SMILES CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:10|
Show InChI InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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 US11021493 (2021)


BindingDB Entry DOI: 10.7270/Q2CZ3B90
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM501185
PNG
(US11021493, Example 104)
Show SMILES CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:10|
Show InChI InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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 US11021493 (2021)


BindingDB Entry DOI: 10.7270/Q2CZ3B90
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM501185
PNG
(US11021493, Example 104)
Show SMILES CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:10|
Show InChI InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a



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 US11021493 (2021)


BindingDB Entry DOI: 10.7270/Q2CZ3B90
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM501185
PNG
(US11021493, Example 104)
Show SMILES CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:10|
Show InChI InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.50E+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 US11021493 (2021)


BindingDB Entry DOI: 10.7270/Q2CZ3B90
More data for this
Ligand-Target Pair