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BDBM50315015 4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyrrol-2-yl)-N-isopropylbenzamide::CHEMBL1092228

SMILES: CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1

InChI Key: InChIKey=JNLDTSJNIMEHPC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315015   
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))
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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair