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BDBM56817 MLS000833680::N-(4-bromanyl-5-methyl-1,2-oxazol-3-yl)-5-nitro-furan-2-carboxamide::N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-5-nitrofuran-2-carboxamide::N-(4-bromo-5-methyl-3-isoxazolyl)-5-nitro-2-furancarboxamide::N-(4-bromo-5-methyl-isoxazol-3-yl)-5-nitro-2-furamide::N2-(4-bromo-5-methylisoxazol-3-yl)-5-nitro-2-furamide::SMR000457201::cid_2799295

SMILES: Cc1onc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1Br

InChI Key: InChIKey=ADOWXLLBBLZSCS-UHFFFAOYSA-N

Data: 2 IC50

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 = 56817   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM56817
PNG
(MLS000833680 | N-(4-bromanyl-5-methyl-1,2-oxazol-3...)
Show SMILES Cc1onc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1Br
Show InChI InChI=1S/C9H6BrN3O5/c1-4-7(10)8(12-18-4)11-9(14)5-2-3-6(17-5)13(15)16/h2-3H,1H3,(H,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM56817
PNG
(MLS000833680 | N-(4-bromanyl-5-methyl-1,2-oxazol-3...)
Show SMILES Cc1onc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1Br
Show InChI InChI=1S/C9H6BrN3O5/c1-4-7(10)8(12-18-4)11-9(14)5-2-3-6(17-5)13(15)16/h2-3H,1H3,(H,11,12,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair