BindingDB logo
myBDB logout

6 similar compounds to monomer 50427049

Compile data set for download or QSAR
Wt: 315.4
BDBM128216
Purchase
Wt: 392.5
BDBM50412453
Wt: 392.5
BDBM50412470
Wt: 330.4
BDBM50427046
Wt: 415.5
BDBM50427047
Wt: 386.5
BDBM50427048

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 128216,50412453,50412470,50427046,50427047,50427048   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50412453
PNG
(CHEMBL458507)
Show SMILES CCCN(CCC)C(=O)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H36N2O/c1-3-16-28(17-4-2)26(29)20-22-8-12-24(13-9-22)25-14-10-23(11-15-25)21-27-18-6-5-7-19-27/h8-15H,3-7,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412453
PNG
(CHEMBL458507)
Show SMILES CCCN(CCC)C(=O)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H36N2O/c1-3-16-28(17-4-2)26(29)20-22-8-12-24(13-9-22)25-14-10-23(11-15-25)21-27-18-6-5-7-19-27/h8-15H,3-7,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412470
PNG
(CHEMBL512197)
Show SMILES CCCN(CCC)Cc1ccc(cc1)-c1ccc(CC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C26H36N2O/c1-3-16-27(17-4-2)21-23-10-14-25(15-11-23)24-12-8-22(9-13-24)20-26(29)28-18-6-5-7-19-28/h8-15H,3-7,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
178n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50412470
PNG
(CHEMBL512197)
Show SMILES CCCN(CCC)Cc1ccc(cc1)-c1ccc(CC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C26H36N2O/c1-3-16-27(17-4-2)21-23-10-14-25(15-11-23)24-12-8-22(9-13-24)20-26(29)28-18-6-5-7-19-28/h8-15H,3-7,16-21H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427046
PNG
(CHEMBL2322833)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O/c23-15-18-6-8-19(9-7-18)16-24-22(25)14-17-10-12-21(13-11-17)20-4-2-1-3-5-20/h1-13H,14-16,23H2,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.23E+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
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50412453
PNG
(CHEMBL458507)
Show SMILES CCCN(CCC)C(=O)Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H36N2O/c1-3-16-28(17-4-2)26(29)20-22-8-12-24(13-9-22)25-14-10-23(11-15-25)21-27-18-6-5-7-19-27/h8-15H,3-7,16-21H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in Wistar rat brain homogenate by Ellman's method


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50412470
PNG
(CHEMBL512197)
Show SMILES CCCN(CCC)Cc1ccc(cc1)-c1ccc(CC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C26H36N2O/c1-3-16-27(17-4-2)21-23-10-14-25(15-11-23)24-12-8-22(9-13-24)20-26(29)28-18-6-5-7-19-28/h8-15H,3-7,16-21H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in Wistar rat brain homogenate by Ellman's method


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
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))
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
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
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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427046
PNG
(CHEMBL2322833)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O/c23-15-18-6-8-19(9-7-18)16-24-22(25)14-17-10-12-21(13-11-17)20-4-2-1-3-5-20/h1-13H,14-16,23H2,(H,24,25)
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