Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM136552'   

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))	BDBM136552 (US8865701, 44 | US9505739, 44) Show SMILES CCc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 |r| Show InChI InChI=1S/C27H34N2O/c1-2-20-10-11-24-23(17-20)9-6-14-27(24)19-28-18-25(27)26(30)29-15-12-22(13-16-29)21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22,25,28H,2,6,9,12-16,18-19H2,1H3/t25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	6.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximate...				US Patent US9505739 (2016) BindingDB Entry DOI: 10.7270/Q2C53JST
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136552 (US8865701, 44 | US9505739, 44) Show SMILES CCc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 |r| Show InChI InChI=1S/C27H34N2O/c1-2-20-10-11-24-23(17-20)9-6-14-27(24)19-28-18-25(27)26(30)29-15-12-22(13-16-29)21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22,25,28H,2,6,9,12-16,18-19H2,1H3/t25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	6.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximate...				US Patent US8865701 (2014) BindingDB Entry DOI: 10.7270/Q2KP80V1
					More data for this Ligand-Target Pair