BDBM50296390 (2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamido}phenyl)-2-methoxypropanoic acid::CHEMBL562135

SMILES: CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O

InChI Key: InChIKey=JDVHKIOLKPCZJJ-CVEARBPZSA-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 = 50296390   

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))	BDBM50296390 ((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...) Show SMILES CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H25NO4S2/c1-23-16(18(21)22)12-13-6-8-14(9-7-13)19-17(20)5-3-2-4-15-10-11-24-25-15/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16+/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	149	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))	BDBM50296390 ((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...) Show SMILES CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H25NO4S2/c1-23-16(18(21)22)12-13-6-8-14(9-7-13)19-17(20)5-3-2-4-15-10-11-24-25-15/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16+/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	4.66E+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))	BDBM50296390 ((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...) Show SMILES CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H25NO4S2/c1-23-16(18(21)22)12-13-6-8-14(9-7-13)19-17(20)5-3-2-4-15-10-11-24-25-15/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16+/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	3.56E+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