null

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

InChI Key: InChIKey=PZTZIDQEPUDXDK-BSCHXCFNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150696   

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))	BDBM50150696 (CHEMBL436787 | methyl 2-[(2R,3R)-2-[(2R)-2-{2-[(2R...) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)OC(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)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C61H104N10O14/c1-24-36(11)44(64-47(72)40(32(3)4)62-49(74)42(34(7)8)68-57(82)85-58(14,15)16)52(77)70-60(19,20)55(80)67-46(38(13)84-31-39-29-27-26-28-30-39)50(75)63-43(35(9)10)51(76)69-59(17,18)54(79)66-41(33(5)6)48(73)65-45(37(12)25-2)53(78)71-61(21,22)56(81)83-23/h26-30,32-38,40-46H,24-25,31H2,1-23H3,(H,62,74)(H,63,75)(H,64,72)(H,65,73)(H,66,79)(H,67,80)(H,68,82)(H,69,76)(H,70,77)(H,71,78)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-/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	25	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