Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50129375'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129375 (CHEMBL3628120) Show SMILES [H][C@]12CC[C@]([H])(C1)N(C2C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H25Cl2N5O2/c1-13(31)28-20-18(24)9-14(10-19(20)25)12-27-23(26)29-22(32)21-15-7-8-17(11-15)30(21)16-5-3-2-4-6-16/h2-6,9-10,15,17,21H,7-8,11-12H2,1H3,(H,28,31)(H3,26,27,29,32)/t15-,17+,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...				Bioorg Med Chem Lett 25: 5040-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.031 BindingDB Entry DOI: 10.7270/Q2CZ390J
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