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BDBM46809 3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]-2-furanyl]benzoic acid::3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid::3-[5-[[(4-nitrophenyl)hydrazono]methyl]-2-furyl]benzoic acid::3-{5-[(4-Nitro-phenyl)-hydrazonomethyl]-furan-2-yl}-benzoic acid::MLS000777078::SMR000413456::cid_3802263

SMILES: OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1

InChI Key: InChIKey=MMQGVPBCGAAGOE-UHFFFAOYSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 46809   
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
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46809
PNG
(3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]-2-fu...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C18H13N3O5/c22-18(23)13-3-1-2-12(10-13)17-9-8-16(26-17)11-19-20-14-4-6-15(7-5-14)21(24)25/h1-10H,11H2,(H,22,23)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28S4NBW
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46809
PNG
(3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]-2-fu...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C18H13N3O5/c22-18(23)13-3-1-2-12(10-13)17-9-8-16(26-17)11-19-20-14-4-6-15(7-5-14)21(24)25/h1-10H,11H2,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q22Z13Z2
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM46809
PNG
(3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]-2-fu...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C18H13N3O5/c22-18(23)13-3-1-2-12(10-13)17-9-8-16(26-17)11-19-20-14-4-6-15(7-5-14)21(24)25/h1-10H,11H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM46809
PNG
(3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]-2-fu...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C18H13N3O5/c22-18(23)13-3-1-2-12(10-13)17-9-8-16(26-17)11-19-20-14-4-6-15(7-5-14)21(24)25/h1-10H,11H2,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM46809
PNG
(3-[5-[[(4-nitrophenyl)hydrazinylidene]methyl]-2-fu...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C18H13N3O5/c22-18(23)13-3-1-2-12(10-13)17-9-8-16(26-17)11-19-20-14-4-6-15(7-5-14)21(24)25/h1-10H,11H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.73E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair