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BDBM42441 2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide::2-({3-nitrophenyl}hydrazono)-3-(4-methoxyphenyl)-3-oxopropanenitrile::3-(4-methoxyphenyl)-2-[(3-nitrophenyl)hydrazinylidene]-3-oxidanylidene-propanenitrile::3-(4-methoxyphenyl)-2-[(3-nitrophenyl)hydrazinylidene]-3-oxopropanenitrile::3-keto-3-(4-methoxyphenyl)-2-[(3-nitrophenyl)hydrazono]propionitrile::MLS000702639::SMR000225416::cid_830586

SMILES: COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N

InChI Key: InChIKey=SBQACMASBGGUNK-VHEBQXMUSA-O

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 = 42441   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42441
PNG
(2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethani...)
Show SMILES COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
Show InChI InChI=1S/C16H11N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9H,1H3/q-1/p+1/b19-18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM42441
PNG
(2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethani...)
Show SMILES COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
Show InChI InChI=1S/C16H11N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9H,1H3/q-1/p+1/b19-18+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42441
PNG
(2-(4-methoxyphenyl)-N-(3-nitroanilino)-2-oxoethani...)
Show SMILES COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
Show InChI InChI=1S/C16H11N4O4/c1-24-14-7-5-11(6-8-14)16(21)15(10-17)19-18-12-3-2-4-13(9-12)20(22)23/h2-9H,1H3/q-1/p+1/b19-18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair