BDBM330056 (1S,3R,4R,12aR)-3-fluoro-7-hydroxy-6,8-dioxo-N-(2,4,6-trifluorobenzyl)-1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1′,2′-d]pyrazine-9-carboxamide::US10689399, Compound 82::US9663528, 82

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

InChI Key: InChIKey=RSCYZMFULYSUJI-LUDXTJNNSA-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 = 330056   

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))	BDBM330056 ((1S,3R,4R,12aR)-3-fluoro-7-hydroxy-6,8-dioxo-N-(2,...) Show SMILES Oc1c2C(=O)N3[C@@H]4C[C@@H](C[C@H]4F)[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |TLB:13:12:10.9:7,THB:11:10:12.5:7,3:5:10.9:7| Show InChI InChI=1S/C21H17F4N3O4/c22-9-3-12(23)10(13(24)4-9)5-26-20(31)11-6-27-7-16-8-1-14(25)15(2-8)28(16)21(32)17(27)19(30)18(11)29/h3-4,6,8,14-16,30H,1-2,5,7H2,(H,26,31)/t8-,14-,15-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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))	BDBM330056 ((1S,3R,4R,12aR)-3-fluoro-7-hydroxy-6,8-dioxo-N-(2,...) Show SMILES Oc1c2C(=O)N3[C@@H]4C[C@@H](C[C@H]4F)[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |TLB:13:12:10.9:7,THB:11:10:12.5:7,3:5:10.9:7| Show InChI InChI=1S/C21H17F4N3O4/c22-9-3-12(23)10(13(24)4-9)5-26-20(31)11-6-27-7-16-8-1-14(25)15(2-8)28(16)21(32)17(27)19(30)18(11)29/h3-4,6,8,14-16,30H,1-2,5,7H2,(H,26,31)/t8-,14-,15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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