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BDBM75759 (4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one::4-[(Z)-(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-2H-1,2-oxazol-5-one::4-[(Z)-(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-3-isoxazolin-5-one::4-[(Z)-(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-methyl-2H-isoxazol-5-one::4-[(Z)-(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-2H-1,2-oxazol-5-one::MLS001196263::SMR000558422::cid_6537416

SMILES: CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O

InChI Key: InChIKey=UXVUSPTVUOYYBU-XBXARRHUSA-N

Data: 5 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 5 hits for monomerid = 75759   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.93E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.31E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.58E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.81E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D798W4
More data for this
Ligand-Target Pair