null

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)OC

InChI Key: InChIKey=WXDLZEHDWRMKAW-IHTADYNZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150693   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50150693 (CHEMBL415576 | methyl 2-[(2R)-2-[(2R,3S)-3-(benzyl...) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C57H96N10O14/c1-22-34(10)42(49(74)66-56(17,18)51(76)63-43(35(11)80-29-36-26-24-23-25-27-36)47(72)60-41(33(8)9)48(73)67-57(19,20)52(77)79-21)61-45(70)39(31(4)5)59-46(71)40(32(6)7)62-50(75)55(15,16)65-37(68)28-58-44(69)38(30(2)3)64-53(78)81-54(12,13)14/h23-27,30-35,38-43H,22,28-29H2,1-21H3,(H,58,69)(H,59,71)(H,60,72)(H,61,70)(H,62,75)(H,63,76)(H,64,78)(H,65,68)(H,66,74)(H,67,73)/t34-,35+,38-,39-,40-,41-,42-,43-/m1/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	90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter				J Med Chem 47: 3931-3 (2004) Article DOI: 10.1021/jm049788c BindingDB Entry DOI: 10.7270/Q29Z94C2
					More data for this Ligand-Target Pair