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 c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F

InChI Key InChIKey=SOLUWJRYJLAZCX-UHFFFAOYSA-N

Data  1 KI  4 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

  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 6 hits for monomerid = 330048   

TargetSolute carrier family 22 member 2(Human)
Gilead Sciences

US Patent
LigandPNGBDBM330048(US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...)
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 Depth
Date in BDB:
6/4/2019
Entry Details
Go to US Patent

TargetPOU domain, class 2, transcription factor 2(Human)
Gilead Sciences

US Patent
LigandPNGBDBM330048(US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...)
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 Depth
Date in BDB:
2/22/2021
Entry Details
Go to US Patent

TargetIntegrase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM330048(US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of HIV integrase strand transfer activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSolute carrier family 22 member 2(Human)
Gilead Sciences

US Patent
LigandPNGBDBM330048(US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...)
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 Depth
Date in BDB:
3/6/2023
Entry Details
Go to US Patent

TargetIntegrase(Human immunodeficiency virus type 1)
Fudan University

Curated by ChEMBL
LigandPNGBDBM330048(US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...)
Affinity DataEC50:  3.10nMAssay Description:Inhibition of HIV-1 integrase G140S/Q148K double mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM330048(US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...)
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 Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed