Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 2' and Ligand = 'BDBM330045'   

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))	BDBM330045 ((2R,3S,5R,3aS)-N-(2,4-difluorobenzyl)-8-hydroxy-3-...) Show SMILES CC1C[C@@H]2C[C@H]1OC1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:8:7:1.2:4,29:31:1.2:4,0:1:7.6.31:4| Show InChI InChI=1S/C22H21F2N3O5/c1-10-4-13-6-16(10)32-17-9-26-8-14(19(28)20(29)18(26)22(31)27(13)17)21(30)25-7-11-2-3-12(23)5-15(11)24/h2-3,5,8,10,13,16-17,29H,4,6-7,9H2,1H3,(H,25,30)/t10?,13-,16-,17?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	204	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))	BDBM330045 ((2R,3S,5R,3aS)-N-(2,4-difluorobenzyl)-8-hydroxy-3-...) Show SMILES CC1C[C@@H]2C[C@H]1OC1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:8:7:1.2:4,29:31:1.2:4,0:1:7.6.31:4| Show InChI InChI=1S/C22H21F2N3O5/c1-10-4-13-6-16(10)32-17-9-26-8-14(19(28)20(29)18(26)22(31)27(13)17)21(30)25-7-11-2-3-12(23)5-15(11)24/h2-3,5,8,10,13,16-17,29H,4,6-7,9H2,1H3,(H,25,30)/t10?,13-,16-,17?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	358	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