Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM171585'   

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))	BDBM171585 (US9085576, 219 | US9085576, 222 | US9611261, Examp...) Show SMILES NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1| Show InChI InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171585 (US9085576, 219 | US9085576, 222 | US9611261, Examp...) Show SMILES NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1| Show InChI InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	4.2	n/a
AMGEN INC. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171585 (US9085576, 219 | US9085576, 222 | US9611261, Examp...) Show SMILES NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1| Show InChI InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171585 (US9085576, 219 | US9085576, 222 | US9611261, Examp...) Show SMILES NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1| Show InChI InChI=1S/C20H16ClF2N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	701	n/a	n/a	n/a	n/a	4.2	n/a
AMGEN INC. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair