BDBM38617 MLS000092916::N-[2-(diethylamino)ethyl]-5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)valeramide::N-[2-(diethylamino)ethyl]-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide::N-[2-(diethylamino)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide::N-[2-(diethylamino)ethyl]-5-(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide::SMR000028552::cid_3244883

SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O

InChI Key InChIKey=GQDHBRVZHCFHCD-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 38617   

TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50:  2.01E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50: >1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50: >1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetRho-associated protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50: >1.99E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50:  6.40E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...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
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50:  1.57E+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
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50:  2.50E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50: >1.00E+5nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
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
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50:  2.23E+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
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
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
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38617(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Affinity DataIC50:  8.17E+3nMAssay Description:A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay