Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 2' and Ligand = 'BDBM330060'   

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))	BDBM330060 ((1R,3S,4R,12aR)-7-hydroxy-3-methyl-6,8-dioxo-N-(2,...) Show SMILES C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,30:6:1.2:4| Show InChI InChI=1S/C22H20F3N3O4/c1-9-2-10-3-16(9)28-17(10)8-27-7-13(19(29)20(30)18(27)22(28)32)21(31)26-6-12-14(24)4-11(23)5-15(12)25/h4-5,7,9-10,16-17,30H,2-3,6,8H2,1H3,(H,26,31)/t9-,10+,16+,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+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
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330060 ((1R,3S,4R,12aR)-7-hydroxy-3-methyl-6,8-dioxo-N-(2,...) Show SMILES C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,30:6:1.2:4| Show InChI InChI=1S/C22H20F3N3O4/c1-9-2-10-3-16(9)28-17(10)8-27-7-13(19(29)20(30)18(27)22(28)32)21(31)26-6-12-14(24)4-11(23)5-15(12)25/h4-5,7,9-10,16-17,30H,2-3,6,8H2,1H3,(H,26,31)/t9-,10+,16+,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+3	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))	BDBM330060 ((1R,3S,4R,12aR)-7-hydroxy-3-methyl-6,8-dioxo-N-(2,...) Show SMILES C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,30:6:1.2:4| Show InChI InChI=1S/C22H20F3N3O4/c1-9-2-10-3-16(9)28-17(10)8-27-7-13(19(29)20(30)18(27)22(28)32)21(31)26-6-12-14(24)4-11(23)5-15(12)25/h4-5,7,9-10,16-17,30H,2-3,6,8H2,1H3,(H,26,31)/t9-,10+,16+,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+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