Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50317031'   

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))	BDBM50317031 (CHEMBL1097325 | N1-((1S,2S)-1-((R)-4-(4-chlorophen...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H41ClF2N4O5S/c1-4-11-40(12-5-2)34(44)25-15-22(3)14-24(19-25)33(43)39-30(18-23-16-27(36)20-28(37)17-23)32(42)31-21-41(13-10-38-31)47(45,46)29-8-6-26(35)7-9-29/h6-9,14-17,19-20,30-32,38,42H,4-5,10-13,18,21H2,1-3H3,(H,39,43)/t30-,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition oh BACE1				Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50317031 (CHEMBL1097325 | N1-((1S,2S)-1-((R)-4-(4-chlorophen...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H41ClF2N4O5S/c1-4-11-40(12-5-2)34(44)25-15-22(3)14-24(19-25)33(43)39-30(18-23-16-27(36)20-28(37)17-23)32(42)31-21-41(13-10-38-31)47(45,46)29-8-6-26(35)7-9-29/h6-9,14-17,19-20,30-32,38,42H,4-5,10-13,18,21H2,1-3H3,(H,39,43)/t30-,31+,32-/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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 production				Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7
					More data for this Ligand-Target Pair