Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50398625'   

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))	BDBM50398625 (CHEMBL2177471) Show SMILES C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(OC2CCCC2)c1 |r| Show InChI InChI=1S/C25H32FN3O3S/c1-19-16-25(18-27-33(30,31)29(25)22-8-5-7-21(26)15-22)12-13-28(19)17-20-6-4-11-24(14-20)32-23-9-2-3-10-23/h4-8,11,14-15,19,23,27H,2-3,9-10,12-13,16-18H2,1H3/t19-,25+/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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398625 (CHEMBL2177471) Show SMILES C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(OC2CCCC2)c1 |r| Show InChI InChI=1S/C25H32FN3O3S/c1-19-16-25(18-27-33(30,31)29(25)22-8-5-7-21(26)15-22)12-13-28(19)17-20-6-4-11-24(14-20)32-23-9-2-3-10-23/h4-8,11,14-15,19,23,27H,2-3,9-10,12-13,16-18H2,1H3/t19-,25+/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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair