BDBM23842 2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3-dihydro-1H-isoindol-1-one::CHEMBL329471::PPS-33

SMILES: CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S

InChI Key: InChIKey=NLSLEAPXLGIRCU-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 23842   

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
alpha-Glucosidase (alpha-Glu) (Saccharomyces cerevisiae)	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line				Bioorg Med Chem Lett 9: 559-62 (1999) BindingDB Entry DOI: 10.7270/Q2ZW1MFX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line				Bioorg Med Chem Lett 9: 559-62 (1999) BindingDB Entry DOI: 10.7270/Q2ZW1MFX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line				Bioorg Med Chem Lett 9: 559-62 (1999) BindingDB Entry DOI: 10.7270/Q2ZW1MFX
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line				Bioorg Med Chem Lett 9: 559-62 (1999) BindingDB Entry DOI: 10.7270/Q2ZW1MFX
					More data for this Ligand-Target Pair