Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 2' and Ligand = 'BDBM330054'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM330054 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,5-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2cc(F)c(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-13-5-15(24)14(23)3-9(13)6-25-20(30)12-7-26-8-16-27(10-1-2-11(4-10)32-16)21(31)17(26)19(29)18(12)28/h3,5,7,10-11,16,29H,1-2,4,6,8H2,(H,25,30)/t10-,11+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	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
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330054 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,5-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2cc(F)c(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-13-5-15(24)14(23)3-9(13)6-25-20(30)12-7-26-8-16-27(10-1-2-11(4-10)32-16)21(31)17(26)19(29)18(12)28/h3,5,7,10-11,16,29H,1-2,4,6,8H2,(H,25,30)/t10-,11+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330054 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,5-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2cc(F)c(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-13-5-15(24)14(23)3-9(13)6-25-20(30)12-7-26-8-16-27(10-1-2-11(4-10)32-16)21(31)17(26)19(29)18(12)28/h3,5,7,10-11,16,29H,1-2,4,6,8H2,(H,25,30)/t10-,11+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	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