Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50544432'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Q81H82
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis s...				J Med Chem 63: 9212-9227 (2020) Article DOI: 10.1021/acs.jmedchem.0c00302 BindingDB Entry DOI: 10.7270/Q2QV3R3B
					More data for this Ligand-Target Pair