Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM228170'   

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))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair