BDBM50296385 (3S)-6-{4-[(4R)-1,3-Dithian-4-yl]butylcarboxamido}-isochroman-3-carboxylic acid::CHEMBL554726

SMILES: OC(=O)[C@@H]1Cc2cc(NC(=O)CCCC[C@@H]3CCSCS3)ccc2CO1

InChI Key: InChIKey=QOIRWYZTUNVKHT-SJORKVTESA-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 = 50296385   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50296385 ((3S)-6-{4-[(4R)-1,3-Dithian-4-yl]butylcarboxamido}...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCC[C@@H]3CCSCS3)ccc2CO1 |r| Show InChI InChI=1S/C19H25NO4S2/c21-18(4-2-1-3-16-7-8-25-12-26-16)20-15-6-5-13-11-24-17(19(22)23)10-14(13)9-15/h5-6,9,16-17H,1-4,7-8,10-12H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Research Center Curated by ChEMBL					Assay Description Inhibition of PTP1B				Eur J Med Chem 44: 3147-57 (2009) Article DOI: 10.1016/j.ejmech.2009.03.009 BindingDB Entry DOI: 10.7270/Q2FJ2GTG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM50296385 ((3S)-6-{4-[(4R)-1,3-Dithian-4-yl]butylcarboxamido}...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCC[C@@H]3CCSCS3)ccc2CO1 |r| Show InChI InChI=1S/C19H25NO4S2/c21-18(4-2-1-3-16-7-8-25-12-26-16)20-15-6-5-13-11-24-17(19(22)23)10-14(13)9-15/h5-6,9,16-17H,1-4,7-8,10-12H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Research Center Curated by ChEMBL					Assay Description Inhibition of LAR				Eur J Med Chem 44: 3147-57 (2009) Article DOI: 10.1016/j.ejmech.2009.03.009 BindingDB Entry DOI: 10.7270/Q2FJ2GTG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50296385 ((3S)-6-{4-[(4R)-1,3-Dithian-4-yl]butylcarboxamido}...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCC[C@@H]3CCSCS3)ccc2CO1 |r| Show InChI InChI=1S/C19H25NO4S2/c21-18(4-2-1-3-16-7-8-25-12-26-16)20-15-6-5-13-11-24-17(19(22)23)10-14(13)9-15/h5-6,9,16-17H,1-4,7-8,10-12H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Research Center Curated by ChEMBL					Assay Description Inhibition of TCPTP				Eur J Med Chem 44: 3147-57 (2009) Article DOI: 10.1016/j.ejmech.2009.03.009 BindingDB Entry DOI: 10.7270/Q2FJ2GTG
					More data for this Ligand-Target Pair