Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50235425'   

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))	BDBM50235425 (CHEMBL4062327) Show SMILES [H][C@]12C\C(=N/Nc3cnccn3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r| Show InChI InChI=1S/C25H30N6O2/c1-4-15-14-31(2)21-12-18-16-7-5-6-8-19(16)28-24(18)20(11-17(15)23(21)25(32)33-3)29-30-22-13-26-9-10-27-22/h5-10,13,15,17,21,23,28H,4,11-12,14H2,1-3H3,(H,27,30)/b29-20+/t15-,17+,21-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney				Eur J Med Chem 128: 247-257 (2017) Article DOI: 10.1016/j.ejmech.2017.01.044 BindingDB Entry DOI: 10.7270/Q2BV7JVT
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