BDBM335495 (2R,5S,13aR)N-(2-chloro-4-fluorobenzyl)-8-hydroxy-7,9-dioxo-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 63::US9732092, Compound 63
SMILES: Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2Cl)c1=O
InChI Key: InChIKey=YUNGXGBKHSVTMA-WOSRLPQWSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
POU domain, class 2, transcription factor 2 (Homo sapiens (Human)) | BDBM335495 ((2R,5S,13aR)N-(2-chloro-4-fluorobenzyl)-8-hy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 42 | 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 | |||||||||||||
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM335495 ((2R,5S,13aR)N-(2-chloro-4-fluorobenzyl)-8-hy...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. US Patent | Assay Description Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and... | US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R | |||||||||||
More data for this Ligand-Target Pair |