BDBM50296379 (3S)-6-[4-(1,2-Dithiolan-3-yl)butylcarboxamido]-isochroman-3-carboxylic acid::CHEMBL557393

SMILES: OC(=O)[C@@H]1Cc2cc(NC(=O)CCCCC3CCSS3)ccc2CO1

InChI Key: InChIKey=YMAKLUCZHGNMLT-LYKKTTPLSA-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 = 50296379   

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))	BDBM50296379 ((3S)-6-[4-(1,2-Dithiolan-3-yl)butylcarboxamido]-is...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCCC3CCSS3)ccc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-11-23-16(18(21)22)10-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15?,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	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))	BDBM50296379 ((3S)-6-[4-(1,2-Dithiolan-3-yl)butylcarboxamido]-is...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCCC3CCSS3)ccc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-11-23-16(18(21)22)10-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+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))	BDBM50296379 ((3S)-6-[4-(1,2-Dithiolan-3-yl)butylcarboxamido]-is...) Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCCC3CCSS3)ccc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-11-23-16(18(21)22)10-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+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