BDBM50477068 CHEMBL236790

SMILES: CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ncc(s1)C(O)(CC)CC

InChI Key: InChIKey=ITBUGKSWVOSSJM-RDJZCZTQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50477068   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50477068 (CHEMBL236790) Show SMILES CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ncc(s1)C(O)(CC)CC Show InChI InChI=1S/C21H29N3O4S/c1-4-10-15(23-19(27)17(25)14-11-8-7-9-12-14)18(26)24-20-22-13-16(29-20)21(28,5-2)6-3/h7-9,11-13,15,17,25,28H,4-6,10H2,1-3H3,(H,23,27)(H,22,24,26)/t15-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477068 (CHEMBL236790) Show SMILES CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ncc(s1)C(O)(CC)CC Show InChI InChI=1S/C21H29N3O4S/c1-4-10-15(23-19(27)17(25)14-11-8-7-9-12-14)18(26)24-20-22-13-16(29-20)21(28,5-2)6-3/h7-9,11-13,15,17,25,28H,4-6,10H2,1-3H3,(H,23,27)(H,22,24,26)/t15-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair