BDBM50477329 CHEMBL392028

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12

InChI Key: InChIKey=HIBABEJMUKTQOY-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50477329   

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))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-40 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-40 formation LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-42 formation LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta38 formation by LPECL assay				Bioorg Med Chem Lett 17: 5428-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.044 BindingDB Entry DOI: 10.7270/Q28P63B0
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477329 (CHEMBL392028) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1c2ccccc2c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C29H33NO5S/c1-17(2)20-13-24(18(3)4)29(25(14-20)19(5)6)36(33,34)30-26-10-8-7-9-22(26)23-12-11-21(15-27(23)30)35-16-28(31)32/h7-15,17-19H,16H2,1-6H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Darmstadt University of Technology Curated by ChEMBL					Assay Description Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay				Bioorg Med Chem Lett 17: 176-82 (2007) Article DOI: 10.1016/j.bmcl.2006.09.061 BindingDB Entry DOI: 10.7270/Q2GB26TD
					More data for this Ligand-Target Pair