BDBM226156 PTP1B spring 5 (5)

SMILES: [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2-[#8])c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1

InChI Key: InChIKey=MTFKAPLXLHFEPO-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 226156   

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))	BDBM226156 (PTP1B spring 5 (5)) Show SMILES [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2-[#8])c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:18,22| Show InChI InChI=1S/C34H24O6/c35-20-24-8-17-31(30-18-15-28(39)19-32(30)40)34(29(24)16-3-21-1-9-25(36)10-2-21)33(22-4-11-26(37)12-5-22)23-6-13-27(38)14-7-23/h1-2,4-15,17-19,35-37,39-40H,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		1.39E+4	-6.89	1.59E+4	n/a	n/a	n/a	n/a	6.0	37
Catholic University of Daegu					Assay Description In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...				Bioorg Chem 72: 273-281 (2017) BindingDB Entry DOI: 10.7270/Q2ZP450S
					More data for this Ligand-Target Pair