BDBM50296388 (3S)-7-{4-[(4R)-2,2-Diphenyl-1,3-dithian-4-yl]butylcarboxamido}-isochroman-3-carboxylic acid::CHEMBL563436

SMILES: OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSC(S3)(c3ccccc3)c3ccccc3)cc2CO1

InChI Key: InChIKey=DUSSUBQZYNSPKD-IZLXSDGUSA-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 = 50296388   

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))	BDBM50296388 ((3S)-7-{4-[(4R)-2,2-Diphenyl-1,3-dithian-4-yl]buty...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSC(S3)(c3ccccc3)c3ccccc3)cc2CO1 |r| Show InChI InChI=1S/C31H33NO4S2/c33-29(32-26-16-15-22-20-28(30(34)35)36-21-23(22)19-26)14-8-7-13-27-17-18-37-31(38-27,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,15-16,19,27-28H,7-8,13-14,17-18,20-21H2,(H,32,33)(H,34,35)/t27-,28+/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	519	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))	BDBM50296388 ((3S)-7-{4-[(4R)-2,2-Diphenyl-1,3-dithian-4-yl]buty...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSC(S3)(c3ccccc3)c3ccccc3)cc2CO1 |r| Show InChI InChI=1S/C31H33NO4S2/c33-29(32-26-16-15-22-20-28(30(34)35)36-21-23(22)19-26)14-8-7-13-27-17-18-37-31(38-27,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,15-16,19,27-28H,7-8,13-14,17-18,20-21H2,(H,32,33)(H,34,35)/t27-,28+/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	7.03E+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))	BDBM50296388 ((3S)-7-{4-[(4R)-2,2-Diphenyl-1,3-dithian-4-yl]buty...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSC(S3)(c3ccccc3)c3ccccc3)cc2CO1 |r| Show InChI InChI=1S/C31H33NO4S2/c33-29(32-26-16-15-22-20-28(30(34)35)36-21-23(22)19-26)14-8-7-13-27-17-18-37-31(38-27,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,15-16,19,27-28H,7-8,13-14,17-18,20-21H2,(H,32,33)(H,34,35)/t27-,28+/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	6.79E+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