BDBM50075334 4-Hydroxy-2-(2-methylsulfanyl-phenyl)-isoindole-1,3-dione::CHEMBL345319

SMILES: CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O

InChI Key: InChIKey=FWSAAZSYICZMKA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50075334   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50075334 (4-Hydroxy-2-(2-methylsulfanyl-phenyl)-isoindole-1,...) Show SMILES CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O Show InChI InChI=1S/C15H11NO3S/c1-20-12-8-3-2-6-10(12)16-14(18)9-5-4-7-11(17)13(9)15(16)19/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	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 (Homo sapiens (Human))	BDBM50075334 (4-Hydroxy-2-(2-methylsulfanyl-phenyl)-isoindole-1,...) Show SMILES CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O Show InChI InChI=1S/C15H11NO3S/c1-20-12-8-3-2-6-10(12)16-14(18)9-5-4-7-11(17)13(9)15(16)19/h2-8,17H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.34E+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))	BDBM50075334 (4-Hydroxy-2-(2-methylsulfanyl-phenyl)-isoindole-1,...) Show SMILES CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O Show InChI InChI=1S/C15H11NO3S/c1-20-12-8-3-2-6-10(12)16-14(18)9-5-4-7-11(17)13(9)15(16)19/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.26E+5	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))	BDBM50075334 (4-Hydroxy-2-(2-methylsulfanyl-phenyl)-isoindole-1,...) Show SMILES CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O Show InChI InChI=1S/C15H11NO3S/c1-20-12-8-3-2-6-10(12)16-14(18)9-5-4-7-11(17)13(9)15(16)19/h2-8,17H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	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