BDBM330059 (1S,4R,12aR)-3,3-difluoro-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 98::US9663528, 98::US9732092, Compound 98

SMILES: Oc1c2C(=O)N3[C@@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1

InChI Key: InChIKey=YTLIEHYDKQQXPL-UFTIBIJLSA-N

Data: 3 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 3 hits for monomerid = 330059   

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
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330059 ((1S,4R,12aR)-3,3-difluoro-7-hydroxy-6,8-dioxo-N-(2...) Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27| Show InChI InChI=1S/C21H16F5N3O4/c22-9-2-12(23)10(13(24)3-9)5-27-19(32)11-6-28-7-14-8-1-15(21(25,26)4-8)29(14)20(33)16(28)18(31)17(11)30/h2-3,6,8,14-15,31H,1,4-5,7H2,(H,27,32)/t8-,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.73E+3	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))	BDBM330059 ((1S,4R,12aR)-3,3-difluoro-7-hydroxy-6,8-dioxo-N-(2...) Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27| Show InChI InChI=1S/C21H16F5N3O4/c22-9-2-12(23)10(13(24)3-9)5-27-19(32)11-6-28-7-14-8-1-15(21(25,26)4-8)29(14)20(33)16(28)18(31)17(11)30/h2-3,6,8,14-15,31H,1,4-5,7H2,(H,27,32)/t8-,14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.73E+3	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))	BDBM330059 ((1S,4R,12aR)-3,3-difluoro-7-hydroxy-6,8-dioxo-N-(2...) Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27| Show InChI InChI=1S/C21H16F5N3O4/c22-9-2-12(23)10(13(24)3-9)5-27-19(32)11-6-28-7-14-8-1-15(21(25,26)4-8)29(14)20(33)16(28)18(31)17(11)30/h2-3,6,8,14-15,31H,1,4-5,7H2,(H,27,32)/t8-,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.73E+3	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