BDBM330048 (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2, 1-b][1,3]oxazepine-10-carboxamide::Bicte-gravir::US10689399, Compound 42::US11548901, Compound 42::US9663528, 42

SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O

InChI Key InChIKey=SOLUWJRYJLAZCX-LYOVBCGYSA-N

Data  1 KI  4 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 330048   

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM330048((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...)
Affinity DataKi:  3.02E+5nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPOU domain, class 2, transcription factor 2(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM330048((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...)
Affinity DataIC50:  487nMAssay Description:The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM330048((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...)
Affinity DataIC50:  487nMAssay Description:The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM330048((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...)
Affinity DataIC50:  487nMAssay Description:The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIntegrase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM330048((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...)
Affinity DataIC50:  7.5nMAssay Description:Inhibition of HIV integrase strand transfer activityMore data for this Ligand-Target Pair