BDBM50477715 CHEMBL248647

SMILES: COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=CTFWPCUEANDSTG-LJQANCHMSA-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 = 50477715   

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))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta40 production after 19 hrs				Bioorg Med Chem Lett 22: 6828-31 (2012) Article DOI: 10.1016/j.bmcl.2012.09.057 BindingDB Entry DOI: 10.7270/Q2RJ4NBT
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of amyloid-beta 42 levels				Bioorg Med Chem Lett 17: 5790-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.047 BindingDB Entry DOI: 10.7270/Q2WD43B2
					More data for this Ligand-Target Pair