BDBM50056911 4-Formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid methyl ester::CHEMBL177021::NSC-657327

SMILES COC(=O)c1c(C)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c(C)c1O

InChI Key InChIKey=HTAATVDZOHXHBE-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50056911   

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

Curated by ChEMBL
LigandPNGBDBM50056911(NSC-657327 | 4-Formyl-3,8-dihydroxy-1,6,9-trimethy...)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1&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
LigandPNGBDBM50056911(NSC-657327 | 4-Formyl-3,8-dihydroxy-1,6,9-trimethy...)
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1&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
LigandPNGBDBM50056911(NSC-657327 | 4-Formyl-3,8-dihydroxy-1,6,9-trimethy...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/6/2012
Entry Details Article
PubMed