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SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCCCC2)c1

InChI Key: InChIKey=OCRWYXBQYMOYEH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219601   
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))		BDBM50219601
PNG
(4-bromo-3-carboxymethoxy-5-[3-(cyclohexylmethylami...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCCCC2)c1
Show InChI InChI=1S/C20H22BrNO5S/c21-16-17(27-11-15(23)24)19(20(25)26)28-18(16)13-7-4-8-14(9-13)22-10-12-5-2-1-3-6-12/h4,7-9,12,22H,1-3,5-6,10-11H2,(H,23,24)(H,25,26)
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MMDB

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Similars
Article
PubMed
 200n/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		3D
3D Structure (docked)