Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50004758   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485629 (CHEMBL2087763) Show SMILES F[P-](F)(F)(F)(F)F.[#6]C([#6])([#6])c1cc(cc([se;v3+]1)C([#6])([#6])[#6])-c1ccc(s1)-[#6](-[#8])=O Show InChI InChI=1S/C18H22O2SSe/c1-17(2,3)14-9-11(10-15(22-14)18(4,5)6)12-7-8-13(21-12)16(19)20/h7-10H,1-6H3/p+1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of VER-stimulated human His10-tagged P-gp ATPase activity expressed in BHK cells after 15 mins				J Med Chem 55: 4683-99 (2012) Article DOI: 10.1021/jm3004398 BindingDB Entry DOI: 10.7270/Q2057JSX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485628 (CHEMBL2087764) Show SMILES CC(C)(C)C1=CC(=CC(=[Te+]1)C(C)(C)C)c1ccc(s1)C(O)=O |c:6,8,t:4,(33.03,-41.37,;34.36,-42.14,;34.36,-43.68,;33.02,-42.9,;35.7,-41.37,;35.7,-39.83,;37.03,-39.06,;38.36,-39.82,;38.37,-41.37,;37.03,-42.15,;39.7,-42.14,;39.7,-43.68,;41.03,-41.37,;41.03,-42.91,;37.01,-37.52,;38.25,-36.61,;37.77,-35.15,;36.23,-35.15,;35.76,-36.62,;35.32,-33.9,;35.94,-32.5,;33.79,-34.07,)| Show InChI InChI=1S/C18H22O2STe/c1-17(2,3)14-9-11(10-15(22-14)18(4,5)6)12-7-8-13(21-12)16(19)20/h7-10H,1-6H3/p+1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of VER-stimulated human His10-tagged P-gp ATPase activity expressed in BHK cells after 15 mins				J Med Chem 55: 4683-99 (2012) Article DOI: 10.1021/jm3004398 BindingDB Entry DOI: 10.7270/Q2057JSX
					More data for this Ligand-Target Pair