Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50393107'   

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))	BDBM50393107 (CHEMBL2152921) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(46.94,-22.47,;46.18,-21.13,;44.64,-21.12,;43.87,-19.78,;42.33,-19.76,;41.56,-21.1,;40.66,-22.35,;39.19,-21.88,;37.85,-22.66,;36.52,-21.89,;36.52,-20.35,;37.85,-19.58,;39.19,-20.34,;40.65,-19.85,;39.74,-18.62,;40.62,-17.36,;40.13,-15.9,;42.1,-17.82,;43.33,-16.91,;42.11,-19.36,;35.19,-19.58,;33.87,-20.35,;32.53,-19.58,;31.2,-20.36,;32.53,-18.04,;31.19,-17.27,;33.86,-17.27,;35.19,-18.04,;33.85,-15.73,;33.85,-14.19,;42.33,-22.43,;43.86,-22.44,)| Show InChI InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)20-10-15(17-9-18(13-28)22(27)21(26)11-17)3-4-16(20)12-24(25)7-5-19(32-2)6-8-24/h3-4,9-11,19H,5-8,12H2,1-2H3,(H2,29,31)/t19-,24-,25?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE by secreted APPbeta release assay				ACS Med Chem Lett 3: 875-876 (2012) Article DOI: 10.1021/ml300324q BindingDB Entry DOI: 10.7270/Q2VM4DC0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393107 (CHEMBL2152921) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(46.94,-22.47,;46.18,-21.13,;44.64,-21.12,;43.87,-19.78,;42.33,-19.76,;41.56,-21.1,;40.66,-22.35,;39.19,-21.88,;37.85,-22.66,;36.52,-21.89,;36.52,-20.35,;37.85,-19.58,;39.19,-20.34,;40.65,-19.85,;39.74,-18.62,;40.62,-17.36,;40.13,-15.9,;42.1,-17.82,;43.33,-16.91,;42.11,-19.36,;35.19,-19.58,;33.87,-20.35,;32.53,-19.58,;31.2,-20.36,;32.53,-18.04,;31.19,-17.27,;33.86,-17.27,;35.19,-18.04,;33.85,-15.73,;33.85,-14.19,;42.33,-22.43,;43.86,-22.44,)| Show InChI InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)20-10-15(17-9-18(13-28)22(27)21(26)11-17)3-4-16(20)12-24(25)7-5-19(32-2)6-8-24/h3-4,9-11,19H,5-8,12H2,1-2H3,(H2,29,31)/t19-,24-,25?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE by TR-FRET assay				ACS Med Chem Lett 3: 875-876 (2012) Article DOI: 10.1021/ml300324q BindingDB Entry DOI: 10.7270/Q2VM4DC0
					More data for this Ligand-Target Pair