BDBM330040 (2S,5R,13aS)-N-(2,4-difluorobenzyl)-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 3::US9663528, 3

SMILES: Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O

InChI Key: InChIKey=YBYOYSBHGOPJMG-WWGRRREGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 330040   

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))	BDBM330040 ((2S,5R,13aS)-N-(2,4-difluorobenzyl)-8-hydroxy-7,9-...) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:3:5:8.7:10,13:12:8.7:10| Show InChI InChI=1S/C21H19F2N3O5/c22-11-2-1-10(15(23)5-11)7-24-20(29)14-8-25-9-16-26(12-3-4-13(6-12)31-16)21(30)17(25)19(28)18(14)27/h1-2,5,8,12-13,16,28H,3-4,6-7,9H2,(H,24,29)/t12-,13+,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	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))	BDBM330040 ((2S,5R,13aS)-N-(2,4-difluorobenzyl)-8-hydroxy-7,9-...) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:3:5:8.7:10,13:12:8.7:10| Show InChI InChI=1S/C21H19F2N3O5/c22-11-2-1-10(15(23)5-11)7-24-20(29)14-8-25-9-16-26(12-3-4-13(6-12)31-16)21(30)17(25)19(28)18(14)27/h1-2,5,8,12-13,16,28H,3-4,6-7,9H2,(H,24,29)/t12-,13+,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	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