BDBM50186575 CHEMBL377206::cis-methyl 4-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)cyclohexyl)butanoate

SMILES: COC(=O)CCC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=AFKBLOZTLRRCHH-MWTRTKDXSA-N

Data: 1 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 1 hit for monomerid = 50186575   

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 PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2 (Homo sapiens (Human))	BDBM50186575 (CHEMBL377206 | cis-methyl 4-(3-(4-chlorophenylsulf...) Show SMILES COC(=O)CCC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h7-12,14,16H,2-6,13,15H2,1H3/t16-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma secretase expressed in SH-SY5Y cells				Bioorg Med Chem Lett 16: 3839-42 (2006) Article DOI: 10.1016/j.bmcl.2006.04.019 BindingDB Entry DOI: 10.7270/Q2BP02DT
					More data for this Ligand-Target Pair