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SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=KEBYYFHCFUZJPG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219595   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50219595
PNG
(4-bromo-3-carboxymethoxy-5-[3-(4-fluorobenzenesulf...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H13BrFNO7S2/c20-15-16(29-9-14(23)24)18(19(25)26)30-17(15)10-2-1-3-12(8-10)22-31(27,28)13-6-4-11(21)5-7-13/h1-8,22H,9H2,(H,23,24)(H,25,26)
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Similars
Article
PubMed
 440n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B

J Med Chem 50: 4681-98 (2007)


Article DOI: 10.1021/jm0702478
BindingDB Entry DOI: 10.7270/Q2TX3F37
More data for this
Ligand-Target Pair