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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

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 12 hits for monomerid = 38617   
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
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a 2.01E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc034008r
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a>1.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc1000488
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a 1.57E+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 (2011)


Article DOI: 10.1016/j.bioorg.2015.07.001
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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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 (2011)

More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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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 (2011)

More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a>8.00E+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 (2011)

More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a 2.23E+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 (2011)

More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a>8.00E+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 (2011)


Article DOI: 10.1016/j.bioorg.2015.06.006
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a 8.17E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair