BDBM81104 3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahydro-1H,5H-2-oxa-11-thia-5a,6,9,10-tetraaza-benzo[b ]fluoren-7-yl)-propionic acid::MLS000776808::SMR000413206::cid_1850590

SMILES CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21

InChI Key InChIKey=WVPSHGDOOUQNAV-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 81104   

TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81104(3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...)
Affinity DataIC50:  4.10E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81104(3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...)
Affinity DataIC50:  1.17E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81104(3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...)
Affinity DataIC50:  8.84E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81104(3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...)
Affinity DataIC50:  3.41E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay