BindingDB logo
myBDB logout

7 similar compounds to monomer 50315003

Wt: 325.4
BDBM50315007
Wt: 410.5
BDBM50315009
Wt: 422.5
BDBM50315013
Wt: 408.4
BDBM50315014
Wt: 410.5
BDBM50315015
Wt: 424.5
BDBM50315016
Wt: 396.4
BDBM50315017

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50315007,50315009,50315013,50315014,50315015,50315016,50315017   
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))
BDBM50315007
PNG
(6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-a...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315009
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Show InChI InChI=1S/C26H26N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h3-16H,2,17-18H2,1H3,(H2,27,29)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315016
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES CCCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Show InChI InChI=1S/C27H28N4O/c1-2-3-18-29-27(32)22-14-12-21(13-15-22)25-17-16-24(20-8-5-4-6-9-20)31(25)19-23-10-7-11-26(28)30-23/h4-17H,2-3,18-19H2,1H3,(H2,28,30)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315017
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Show InChI InChI=1S/C25H24N4O/c1-2-27-25(30)20-13-11-19(12-14-20)23-16-15-22(18-7-4-3-5-8-18)29(23)17-21-9-6-10-24(26)28-21/h3-16H,2,17H2,1H3,(H2,26,28)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50315009
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Show InChI InChI=1S/C26H26N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h3-16H,2,17-18H2,1H3,(H2,27,29)(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.43E+4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315015
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Show InChI InChI=1S/C26H26N4O/c1-18(2)28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)17-22-9-6-10-25(27)29-22/h3-16,18H,17H2,1-2H3,(H2,27,29)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315014
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/c27-25-8-4-7-22(28-25)17-30-23(18-5-2-1-3-6-18)15-16-24(30)19-9-11-20(12-10-19)26(31)29-21-13-14-21/h1-12,15-16,21H,13-14,17H2,(H2,27,28)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315007
PNG
(6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-a...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 1.54E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50315013
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CCC2)-c2ccccc2)n1
Show InChI InChI=1S/C27H26N4O/c28-26-11-5-10-23(29-26)18-31-24(19-6-2-1-3-7-19)16-17-25(31)20-12-14-21(15-13-20)27(32)30-22-8-4-9-22/h1-3,5-7,10-17,22H,4,8-9,18H2,(H2,28,29)(H,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)

More data for this
Ligand-Target Pair