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BDBM50329046 (2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone::2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole::CHEMBL1235802

SMILES: O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12

InChI Key: InChIKey=FYDPGAJRQXSCCK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50329046   
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
Renin


(Homo sapiens (human))
BDBM50329046
PNG
((2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)m...)
Show SMILES O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2
PDB
MMDB

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Similars

AffyNet 
PDB
Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)