BDBM50186584 CHEMBL387400::cis-3-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)cyclohexyl)propanoic acid

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

InChI Key: InChIKey=HMVCACBDXIUZTM-QKKBWIMNSA-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 = 50186584   

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))	BDBM50186584 (CHEMBL387400 | cis-3-(3-(4-chlorophenylsulfonyl)-3...) Show SMILES OC(=O)CC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClF2O4S/c22-15-4-7-17(8-5-15)29(27,28)21(18-12-16(23)6-9-19(18)24)11-1-2-14(13-21)3-10-20(25)26/h4-9,12,14H,1-3,10-11,13H2,(H,25,26)/t14-,21-/m0/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	24	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
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