BDBM50296370 (3S)-7-[4-(2-Thienyl)butylcarboxamido]-isochroman-3-carboxylic acid::CHEMBL550462

SMILES: OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCCc3cccs3)cc2CO1

InChI Key: InChIKey=NFXYGJNCWVDKLI-KRWDZBQOSA-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 = 50296370   

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))	BDBM50296370 ((3S)-7-[4-(2-Thienyl)butylcarboxamido]-isochroman-...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCCc3cccs3)cc2CO1 |r| Show InChI InChI=1S/C19H21NO4S/c21-18(6-2-1-4-16-5-3-9-25-16)20-15-8-7-13-11-17(19(22)23)24-12-14(13)10-15/h3,5,7-10,17H,1-2,4,6,11-12H2,(H,20,21)(H,22,23)/t17-/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	384	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))	BDBM50296370 ((3S)-7-[4-(2-Thienyl)butylcarboxamido]-isochroman-...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCCc3cccs3)cc2CO1 |r| Show InChI InChI=1S/C19H21NO4S/c21-18(6-2-1-4-16-5-3-9-25-16)20-15-8-7-13-11-17(19(22)23)24-12-14(13)10-15/h3,5,7-10,17H,1-2,4,6,11-12H2,(H,20,21)(H,22,23)/t17-/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	5.91E+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))	BDBM50296370 ((3S)-7-[4-(2-Thienyl)butylcarboxamido]-isochroman-...) Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCCc3cccs3)cc2CO1 |r| Show InChI InChI=1S/C19H21NO4S/c21-18(6-2-1-4-16-5-3-9-25-16)20-15-8-7-13-11-17(19(22)23)24-12-14(13)10-15/h3,5,7-10,17H,1-2,4,6,11-12H2,(H,20,21)(H,22,23)/t17-/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	5.56E+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