BDBM50056903 CHEMBL172418::NSC-338683::ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimidinylamino)propylamino]-4-hydroxy-5-pyrimidinecarboxylate

SMILES CCOC(=O)c1cnc(NCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[nH]c1=O

InChI Key InChIKey=YJJPGRNCMKXWFF-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 = 50056903   

TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056903(ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056903(ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...)
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056903(ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...)
Affinity DataIC50: 1.28E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056903(ethyl 2-[3-(5-ethyloxycarbonyl-4-hydroxy-2-pyrimid...)
Affinity DataIC50: 1.67E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed