BindingDB logo
myBDB logout

BDBM228474 US9556135, 196

SMILES: CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1

InChI Key: InChIKey=AOLNFZPTGMFRTP-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 228474   
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
Cathepsin D


(Homo sapiens (human))
BDBM228474
PNG
(US9556135, 196)
Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C21H24ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h6-10H,5,11H2,1-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+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 US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228474
PNG
(US9556135, 196)
Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C21H24ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h6-10H,5,11H2,1-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.81n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair