BDBM50393455 CHEMBL2159691

SMILES: Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=YBMCEYFBYSXPGP-XERREHJYSA-N

Data: 3 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 3 hits for monomerid = 50393455   

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))	BDBM50393455 (CHEMBL2159691) Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H18ClF2NO4S/c22-13-3-5-14(6-4-13)30(26,27)21-9-11-28-18(2-1-10-25)15(21)12-29-20-17(24)8-7-16(23)19(20)21/h3-8,15,18H,1-2,9,11-12H2/t15-,18-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair
Gamma-secretase (Homo sapiens (Human))	BDBM50393455 (CHEMBL2159691) Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H18ClF2NO4S/c22-13-3-5-14(6-4-13)30(26,27)21-9-11-28-18(2-1-10-25)15(21)12-29-20-17(24)8-7-16(23)19(20)21/h3-8,15,18H,1-2,9,11-12H2/t15-,18-,21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50393455 (CHEMBL2159691) Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H18ClF2NO4S/c22-13-3-5-14(6-4-13)30(26,27)21-9-11-28-18(2-1-10-25)15(21)12-29-20-17(24)8-7-16(23)19(20)21/h3-8,15,18H,1-2,9,11-12H2/t15-,18-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay				ACS Med Chem Lett 3: 892-896 (2012) Article DOI: 10.1021/ml300044f BindingDB Entry DOI: 10.7270/Q2WD41PQ
					More data for this Ligand-Target Pair