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BDBM50315003 CHEMBL1092227::N-allyl-4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)benzamide

InChI string: InChI=1S/C26H24N4O/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/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)

SMILES: Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1

InChI Key: InChIKey=LLAHJUDHJREWBP-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50315003   
Target
(Institution)
LigandTarget
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 amyloid A4 protein


(Homo sapiens (human))
BDBM50315003
PNG
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/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/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 4.80E+3n/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 (BACE)


(Homo sapiens (Human))
BDBM50315003
PNG
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/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/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 590n/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))
BDBM50315003
PNG
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/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/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.36E+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