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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50300723   
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))
BDBM50300723
PNG
(8-(3-tert-butylphenyl)-8-phenyl-2,3,4,8-tetrahydro...)
Show SMILES CC(C)(C)c1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 |t:12,19|
Show InChI InChI=1S/C22H26N4/c1-21(2,3)17-11-7-12-18(15-17)22(16-9-5-4-6-10-16)19-24-13-8-14-26(19)20(23)25-22/h4-7,9-12,15H,8,13-14H2,1-3H3,(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.02E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by FRET


J Med Chem 52: 6314-23 (2009)


Article DOI: 10.1021/jm9006752
BindingDB Entry DOI: 10.7270/Q2Z89CHR
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50300723
PNG
(8-(3-tert-butylphenyl)-8-phenyl-2,3,4,8-tetrahydro...)
Show SMILES CC(C)(C)c1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 |t:12,19|
Show InChI InChI=1S/C22H26N4/c1-21(2,3)17-11-7-12-18(15-17)22(16-9-5-4-6-10-16)19-24-13-8-14-26(19)20(23)25-22/h4-7,9-12,15H,8,13-14H2,1-3H3,(H2,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET


J Med Chem 52: 6314-23 (2009)


Article DOI: 10.1021/jm9006752
BindingDB Entry DOI: 10.7270/Q2Z89CHR
More data for this
Ligand-Target Pair