BDBM50296389 (3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamido}-1-oxo-isochroman-3-carboxylic acid::CHEMBL557655

SMILES: OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2C(=O)O1

InChI Key: InChIKey=QLMQFZFSYWCKOR-HIFRSBDPSA-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 = 50296389   

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))	BDBM50296389 ((3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2C(=O)O1 |r| Show InChI InChI=1S/C18H21NO5S2/c20-16(4-2-1-3-13-7-8-25-26-13)19-12-6-5-11-9-15(17(21)22)24-18(23)14(11)10-12/h5-6,10,13,15H,1-4,7-9H2,(H,19,20)(H,21,22)/t13-,15+/m1/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	304	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))	BDBM50296389 ((3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2C(=O)O1 |r| Show InChI InChI=1S/C18H21NO5S2/c20-16(4-2-1-3-13-7-8-25-26-13)19-12-6-5-11-9-15(17(21)22)24-18(23)14(11)10-12/h5-6,10,13,15H,1-4,7-9H2,(H,19,20)(H,21,22)/t13-,15+/m1/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	5.86E+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))	BDBM50296389 ((3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2C(=O)O1 |r| Show InChI InChI=1S/C18H21NO5S2/c20-16(4-2-1-3-13-7-8-25-26-13)19-12-6-5-11-9-15(17(21)22)24-18(23)14(11)10-12/h5-6,10,13,15H,1-4,7-9H2,(H,19,20)(H,21,22)/t13-,15+/m1/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	6.21E+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