Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform D of Beta-secretase 1 (BACE-I-432)' and Ligand = 'BDBM223351'   

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
Isoform D of Beta-secretase 1 (BACE-I-432) (Homo sapiens (Human))	BDBM223351 (US9315520, 38 | US9605007, Example 38 | US9744173,...) Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C(F)(F)F)cs1 |r,c:7| Show InChI InChI=1S/C17H18F3N5O3S2/c1-7-3-9-4-30-15(21)25-16(9,6-27-7)14-24-10(5-29-14)23-13(26)11-12(17(18,19)20)28-8(2)22-11/h5,7,9H,3-4,6H2,1-2H3,(H2,21,25)(H,23,26)/t7-,9-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	4.5	37
Pfizer Inc. US Patent					Assay Description The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...				US Patent US9315520 (2016) BindingDB Entry DOI: 10.7270/Q20000Z5
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