BDBM50441784 CHEMBL2436038

SMILES: OC(=O)c1ccc(Cl)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12

InChI Key: InChIKey=MFXKNGGLSZZJIY-QNGWXLTQSA-N

Data: 1 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 1 hit for monomerid = 50441784   

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))	BDBM50441784 (CHEMBL2436038) Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C43H35ClN4O5S/c44-31-18-21-34(43(51)52)36(24-31)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-17-30-25-45-35-14-8-7-13-33(30)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/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	710	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis				Eur J Med Chem 69: 399-412 (2013) Article DOI: 10.1016/j.ejmech.2013.09.017 BindingDB Entry DOI: 10.7270/Q2VM4DP1
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