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BDBM50398624 CHEMBL2177472

SMILES: C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl

InChI Key: InChIKey=ZNJPYGAZHWKTMZ-AFMDSPMNSA-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 = 50398624   
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))
BDBM50398624
PNG
(CHEMBL2177472)
Show SMILES C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C26H27ClFN3O2S/c1-19-16-26(18-29-34(32,33)31(26)23-9-5-8-22(28)15-23)12-13-30(19)17-20-6-4-7-21(14-20)24-10-2-3-11-25(24)27/h2-11,14-15,19,29H,12-13,16-18H2,1H3/t19-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398624
PNG
(CHEMBL2177472)
Show SMILES C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C26H27ClFN3O2S/c1-19-16-26(18-29-34(32,33)31(26)23-9-5-8-22(28)15-23)12-13-30(19)17-20-6-4-7-21(14-20)24-10-2-3-11-25(24)27/h2-11,14-15,19,29H,12-13,16-18H2,1H3/t19-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/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