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2 similar compounds to monomer 50398615

Compile data set for download or QSAR
Wt: 419.5
BDBM50398613
Wt: 389.4
BDBM50398632

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50398613,50398632   
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))
BDBM50398613
PNG
(CHEMBL2177484)
Show SMILES C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1
Show InChI InChI=1/C21H26FN3O3S/c1-16-13-21(10-11-24(16)14-17-6-8-20(26)9-7-17)15-23(2)29(27,28)25(21)19-5-3-4-18(22)12-19/h3-9,12,16,26H,10-11,13-15H2,1-2H3/t16-,21+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA


J Med Chem 55: 9224-39 (2012)


Article DOI: 10.1021/jm3009426
BindingDB Entry DOI: 10.7270/Q22F7PK8
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398632
PNG
(CHEMBL2177485)
Show SMILES C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccccc1
Show InChI InChI=1/C20H24FN3O2S/c1-16-13-20(10-11-23(16)14-17-6-3-2-4-7-17)15-22-27(25,26)24(20)19-9-5-8-18(21)12-19/h2-9,12,16,22H,10-11,13-15H2,1H3/t16-,20+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA


J Med Chem 55: 9224-39 (2012)


Article DOI: 10.1021/jm3009426
BindingDB Entry DOI: 10.7270/Q22F7PK8
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398613
PNG
(CHEMBL2177484)
Show SMILES C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1
Show InChI InChI=1/C21H26FN3O3S/c1-16-13-21(10-11-24(16)14-17-6-8-20(26)9-7-17)15-23(2)29(27,28)25(21)19-5-3-4-18(22)12-19/h3-9,12,16,26H,10-11,13-15H2,1-2H3/t16-,21+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA


J Med Chem 55: 9224-39 (2012)


Article DOI: 10.1021/jm3009426
BindingDB Entry DOI: 10.7270/Q22F7PK8
More data for this
Ligand-Target Pair