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 = 'BDBM223393'   

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))	BDBM223393 (US9315520, 108) Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CCC2)[N+]#[C-])cs1 |r,c:7| Show InChI InChI=1S/C17H21N5O2S2/c1-10-6-11-7-26-15(18)22-17(11,9-24-10)14-21-12(8-25-14)20-13(23)16(19-2)4-3-5-16/h8,10-11H,3-7,9H2,1H3,(H2,18,22)(H,20,23)/t10-,11-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	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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