BDBM50296377 (3S)-6-[2-(2,2-Diphenyl-1,3-dithiolan-4-yl)ethylcarboxamido]-isochroman-3-carboxylic acid::CHEMBL562468

SMILES: OC(=O)[C@@H]1Cc2cc(NC(=O)CCC3CSC(S3)(c3ccccc3)c3ccccc3)ccc2CO1

InChI Key: InChIKey=VFSBGEYSEWZWLR-BBMPLOMVSA-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 = 50296377   

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))	BDBM50296377 ((3S)-6-[2-(2,2-Diphenyl-1,3-dithiolan-4-yl)ethylca...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCC3CSC(S3)(c3ccccc3)c3ccccc3)ccc2CO1 |r| Show InChI InChI=1S/C28H27NO4S2/c30-26(29-23-12-11-19-17-33-25(27(31)32)16-20(19)15-23)14-13-24-18-34-28(35-24,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,15,24-25H,13-14,16-18H2,(H,29,30)(H,31,32)/t24?,25-/m0/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	669	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))	BDBM50296377 ((3S)-6-[2-(2,2-Diphenyl-1,3-dithiolan-4-yl)ethylca...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCC3CSC(S3)(c3ccccc3)c3ccccc3)ccc2CO1 |r| Show InChI InChI=1S/C28H27NO4S2/c30-26(29-23-12-11-19-17-33-25(27(31)32)16-20(19)15-23)14-13-24-18-34-28(35-24,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,15,24-25H,13-14,16-18H2,(H,29,30)(H,31,32)/t24?,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98E+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))	BDBM50296377 ((3S)-6-[2-(2,2-Diphenyl-1,3-dithiolan-4-yl)ethylca...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCC3CSC(S3)(c3ccccc3)c3ccccc3)ccc2CO1 |r| Show InChI InChI=1S/C28H27NO4S2/c30-26(29-23-12-11-19-17-33-25(27(31)32)16-20(19)15-23)14-13-24-18-34-28(35-24,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,15,24-25H,13-14,16-18H2,(H,29,30)(H,31,32)/t24?,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+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