BDBM271422 4- (((3aR,5aR,5bR,7aR, 9S,11aR,11bR,13aS)- 3a-((R)-2-((3- Chlorobenzyl)(2- (dimethylamino)ethyl) amino)-1-hydroxyethyl)- 1-isopropyl- 5a,5b,8,8,11a- pentamethyl-2-oxo- 3,3a,4,5,5a,5b,6,7,7a, 8,9,10,11,11a,11b,12, 13,13a- octadecahydro-2H- cyclopenta[a]chrysen- 9-yl)oxy)-2,2-dimethyl- 4-oxobutanoic acid.::US10064873, Example 45

SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CN(CCN(C)C)Cc2cccc(Cl)c2)CC1=O

InChI Key InChIKey=DSNMRZSQABDJDK-UHFFFAOYSA-N

Data  2 EC50

  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 = 271422   

TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 271422BDBM271422(4- (((3aR,5aR,5bR,7aR, 9S,11aR,11bR,13aS)- 3a-((R)...)
Affinity DataEC50:  1.90nMAssay Description:Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2018
Entry Details
US Patent

TargetEnvelope glycoprotein gp160 [V370A](Human immunodeficiency virus type 1)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 271422BDBM271422(4- (((3aR,5aR,5bR,7aR, 9S,11aR,11bR,13aS)- 3a-((R)...)
Affinity DataEC50:  2.5nMAssay Description:Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2018
Entry Details
US Patent