Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2' and Ligand = 'BDBM50189028'   

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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50189028 (4-(4-(1-(4-chloro-N-(2,5-difluorophenyl)phenylsulf...) Show SMILES CC(N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1OCCCN1CCCC1)C(=O)c1ccc(COC(=O)NCCCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 Show InChI InChI=1S/C54H67ClF2N6O8S2/c1-37(63(47-34-42(56)22-26-45(47)57)73(68,69)43-23-20-41(55)21-24-43)44-25-19-40(33-48(44)70-32-12-31-62-29-10-11-30-62)52(65)39-17-15-38(16-18-39)35-71-54(67)59-28-9-5-3-2-4-8-27-58-50(64)14-7-6-13-49-51-46(36-72-49)60-53(66)61-51/h15-26,33-34,37,46,49,51H,2-14,27-32,35-36H2,1H3,(H,58,64)(H,59,67)(H2,60,61,66)/t37?,46-,49-,51-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibition of beta amyloid protein 40 production				Bioorg Med Chem Lett 16: 4184-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.091 BindingDB Entry DOI: 10.7270/Q2RF5TN8
					More data for this Ligand-Target Pair