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6 similar compounds to monomer 50427046

Compile data set for download or QSAR
Wt: 315.4
BDBM128216
Purchase
Wt: 432.5
BDBM50427045
Wt: 415.5
BDBM50427047
Wt: 386.5
BDBM50427048
Wt: 384.5
BDBM50427049
Wt: 346.4
BDBM50427050

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 128216,50427045,50427047,50427048,50427049,50427050   
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
Transthyretin


(Homo sapiens (Human))
BDBM128216
PNG
(2-(4-biphenylyl)-N-(4-methylbenzyl)acetamide | MLS...)
Show SMILES Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21NO/c1-17-7-9-19(10-8-17)16-23-22(24)15-18-11-13-21(14-12-18)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.67E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VGV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM128216
PNG
(2-(4-biphenylyl)-N-(4-methylbenzyl)acetamide | MLS...)
Show SMILES Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21NO/c1-17-7-9-19(10-8-17)16-23-22(24)15-18-11-13-21(14-12-18)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427050
PNG
(CHEMBL2322542)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H22N2O2/c23-14-17-1-3-18(4-2-17)15-24-22(26)13-16-5-7-19(8-6-16)20-9-11-21(25)12-10-20/h1-12,25H,13-15,23H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427045
PNG
(CHEMBL2322830)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427048
PNG
(CHEMBL2322831)
Show SMILES CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H30N2O/c1-3-28(4-2)20-23-12-10-22(11-13-23)19-27-26(29)18-21-14-16-25(17-15-21)24-8-6-5-7-9-24/h5-17H,3-4,18-20H2,1-2H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427049
PNG
(CHEMBL2322829)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H28N2O/c29-26(18-21-12-14-25(15-13-21)24-6-2-1-3-7-24)27-19-22-8-10-23(11-9-22)20-28-16-4-5-17-28/h1-3,6-15H,4-5,16-20H2,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427047
PNG
(CHEMBL2322832)
Show SMILES CC[N+](CC)(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O/c1-4-30(5-2,6-3)22-25-14-12-24(13-15-25)21-29-28(31)20-23-16-18-27(19-17-23)26-10-8-7-9-11-26/h7-19H,4-6,20-22H2,1-3H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427045
PNG
(CHEMBL2322830)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C30H28N2O/c33-30(18-23-14-16-27(17-15-23)26-6-2-1-3-7-26)31-19-24-10-12-25(13-11-24)20-32-21-28-8-4-5-9-29(28)22-32/h1-17H,18-22H2,(H,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.33E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair