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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

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/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


Citation and Details
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


Citation and Details
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

B.MOAD
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


Citation and Details
More data for this
Ligand-Target Pair