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::US10689399, 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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (2019-nCoV) | BDBM330048 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | 3.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM330048 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV integrase strand transfer activity | Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM330048 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 487 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. US Patent | Assay 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... | US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
POU domain, class 2, transcription factor 2 (Homo sapiens (Human)) | BDBM330048 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 487 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. US Patent | Assay 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... | US Patent US10689399 (2020) | |||||||||||
More data for this Ligand-Target Pair |