BDBM50036141 5-[5-[9a,11a-dimethyl-(5aS,9aS,11aR)-perhydrocyclopenta[a]phenanthren-1-yl]-1-(3-carboxy-5-chloro-4-hydroxyphenyl)-1-hexenyl]-3-chloro-2-hydroxybenzoic acid(cosalog-2)::CHEMBL3137943

SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6][C@]2([H])[#6]-[#6]-[#6]-[#6][C@]12[#6]

InChI Key InChIKey=BIWJOGKSEZUFIX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50036141   

TargetIntegrase(Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50036141(5-[5-[9a,11a-dimethyl-(5aS,9aS,11aR)-perhydrocyclo...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of HIV -1 IntegraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50036141(5-[5-[9a,11a-dimethyl-(5aS,9aS,11aR)-perhydrocyclo...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of HIV -1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed