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BDBM87865 MLS000724605::N-[(2-methyl-1H-indol-5-yl)methyl]-3-nitro-benzamide::N-[(2-methyl-1H-indol-5-yl)methyl]-3-nitrobenzamide::SMR000237467::cid_4107213

SMILES: Cc1cc2cc(CNC(=O)c3cccc(c3)[N+]([O-])=O)ccc2[nH]1

InChI Key: InChIKey=IVNIMDZBVHNVOZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 87865   
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
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM87865
PNG
(MLS000724605 | N-[(2-methyl-1H-indol-5-yl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3cccc(c3)[N+]([O-])=O)ccc2[nH]1
Show InChI InChI=1S/C17H15N3O3/c1-11-7-14-8-12(5-6-16(14)19-11)10-18-17(21)13-3-2-4-15(9-13)20(22)23/h2-9,19H,10H2,1H3,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM87865
PNG
(MLS000724605 | N-[(2-methyl-1H-indol-5-yl)methyl]-...)
Show SMILES Cc1cc2cc(CNC(=O)c3cccc(c3)[N+]([O-])=O)ccc2[nH]1
Show InChI InChI=1S/C17H15N3O3/c1-11-7-14-8-12(5-6-16(14)19-11)10-18-17(21)13-3-2-4-15(9-13)20(22)23/h2-9,19H,10H2,1H3,(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair