null

SMILES: CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NC(=O)C(Cc1ccccc1)NC(=O)CCC(O)=O

InChI Key: InChIKey=NQDMYLLPLOXXJG-BMRADRMJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414245   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50414245 (CHEMBL558555) Show SMILES CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NC(=O)C(Cc1ccccc1)NC(=O)CCC(O)=O Show InChI InChI=1S/C39H43N5O11/c1-2-3-9-20-41-35(49)28(43-36(50)29(22-24-10-5-4-6-11-24)42-33(46)18-19-34(47)48)23-25-14-16-30(26(21-25)15-17-32(40)45)44(37(51)39(54)55)31-13-8-7-12-27(31)38(52)53/h4-8,10-17,21,28-29H,2-3,9,18-20,22-23H2,1H3,(H2,40,45)(H,41,49)(H,42,46)(H,43,50)(H,47,48)(H,52,53)(H,54,55)/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair