Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50134706'   

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))	BDBM50134706 (5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C38H37F2N3O9/c1-20(2)33(35(47)41-27-16-23(37(49)50)15-24(17-27)38(51)52)43-32(45)19-31(44)30(14-21-12-25(39)18-26(40)13-21)42-36(48)34(46)29-11-7-6-10-28(29)22-8-4-3-5-9-22/h3-13,15-18,20,30-31,33-34,44,46H,14,19H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,49,50)(H,51,52)/t30-,31-,33-,34?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against human beta-Secretase (BACE)				J Med Chem 46: 4625-30 (2003) Article DOI: 10.1021/jm030247h BindingDB Entry DOI: 10.7270/Q2PR7VCB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50134706 (5-{2-[4-(2-Biphenyl-2-yl-2-hydroxy-acetylamino)-5-...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C38H37F2N3O9/c1-20(2)33(35(47)41-27-16-23(37(49)50)15-24(17-27)38(51)52)43-32(45)19-31(44)30(14-21-12-25(39)18-26(40)13-21)42-36(48)34(46)29-11-7-6-10-28(29)22-8-4-3-5-9-22/h3-13,15-18,20,30-31,33-34,44,46H,14,19H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,49,50)(H,51,52)/t30-,31-,33-,34?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for its effective concentration against human beta-Secretase (BACE)				J Med Chem 46: 4625-30 (2003) Article DOI: 10.1021/jm030247h BindingDB Entry DOI: 10.7270/Q2PR7VCB
					More data for this Ligand-Target Pair