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BDBM94920 MLS001197785::N-(5-bromanyl-2-oxidanyl-phenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide::N-(5-bromo-2-hydroxy-phenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide::N-(5-bromo-2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide::N-(5-bromo-2-hydroxyphenyl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide::N-(5-bromo-2-hydroxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide::SMR000559847::cid_17252839

SMILES: COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O

InChI Key: InChIKey=JHQXSHPFUNXPJM-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 = 94920   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM94920
PNG
(MLS001197785 | N-(5-bromanyl-2-oxidanyl-phenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O
Show InChI InChI=1S/C17H13BrN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM94920
PNG
(MLS001197785 | N-(5-bromanyl-2-oxidanyl-phenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O
Show InChI InChI=1S/C17H13BrN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair