BDBM81027 2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-4,5-bis(oxidanyl)indol-7-yl]-3-oxidanylidene-butanoic acid::2-[6-bromo-3-(ethoxycarbonyl)-4,5-dihydroxy-2-methyl-1-(4-methylphenyl)-1H-indol-7-yl]-3-oxobutanoic acid::2-[6-bromo-3-carbethoxy-4,5-dihydroxy-2-methyl-1-(p-tolyl)indol-7-yl]-3-keto-butyric acid::2-[6-bromo-3-ethoxycarbonyl-4,5-dihydroxy-2-methyl-1-(4-methylphenyl)-7-indolyl]-3-oxobutanoic acid::2-[6-bromo-3-ethoxycarbonyl-4,5-dihydroxy-2-methyl-1-(4-methylphenyl)indol-7-yl]-3-oxobutanoic acid::MLS000540686::SMR000162014::cid_11948749

SMILES CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C(C(C)=O)C(O)=O)c(Br)c(O)c(O)c12

InChI Key InChIKey=UOGZZDLPFGQPGB-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 81027   

TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 2.65E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 2.76E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 5.74E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 1.23E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81027(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Affinity DataIC50: 7.52E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay