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PubMed code 24900395

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50393094
PNG
(CHEMBL2152908)
Show SMILES NC1=N[C@]2(CO1)[C@H]1C[C@H](COC1Oc1ccc(cc21)-c1cncc(Cl)c1)OCC1CC1
Show InChI InChI=1S/C23H24ClN3O4/c24-16-5-15(8-26-9-16)14-3-4-20-18(6-14)23(12-30-22(25)27-23)19-7-17(11-29-21(19)31-20)28-10-13-1-2-13/h3-6,8-9,13,17,19,21H,1-2,7,10-12H2,(H2,25,27)/t17-,19+,21?,23+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE1-mediated amyloid beta (1 to 40) production after 48 hrs by cell based HTRF immunoassay


ACS Med Chem Lett 3: 871-872 (2012)


Article DOI: 10.1021/ml300318y
BindingDB Entry DOI: 10.7270/Q2416Z59
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393093
PNG
(CHEMBL2152909)
Show SMILES NC1=N[C@@]2(CO1)[C@H]1C[C@H](COC1Oc1ccc(cc21)-c1cncc(Cl)c1)OCC1CC1
Show InChI InChI=1S/C23H24ClN3O4/c24-16-5-15(8-26-9-16)14-3-4-20-18(6-14)23(12-30-22(25)27-23)19-7-17(11-29-21(19)31-20)28-10-13-1-2-13/h3-6,8-9,13,17,19,21H,1-2,7,10-12H2,(H2,25,27)/t17-,19+,21?,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE1-mediated amyloid beta (1 to 40) production after 48 hrs by cell based HTRF immunoassay


ACS Med Chem Lett 3: 871-872 (2012)


Article DOI: 10.1021/ml300318y
BindingDB Entry DOI: 10.7270/Q2416Z59
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393092
PNG
(CHEMBL2152907)
Show SMILES CN1C(=O)CC2(N=C1N)[C@H]1CCC3(CC1Oc1ccc(cc21)-c1cc(F)cc(Cl)c1)OCCO3
Show InChI InChI=1S/C25H25ClFN3O4/c1-30-22(31)13-25(29-23(30)28)18-4-5-24(32-6-7-33-24)12-21(18)34-20-3-2-14(10-19(20)25)15-8-16(26)11-17(27)9-15/h2-3,8-11,18,21H,4-7,12-13H2,1H3,(H2,28,29)/t18-,21?,25?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.08E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE1-mediated amyloid beta (1 to 40) production after 48 hrs by cell based HTRF immunoassay


ACS Med Chem Lett 3: 871-872 (2012)


Article DOI: 10.1021/ml300318y
BindingDB Entry DOI: 10.7270/Q2416Z59
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%