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SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)C(=O)NCc2ccccc2)c1

InChI Key: InChIKey=XTLFFRAZXYBQQP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219600   
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))		BDBM50219600
PNG
(5-[3-(1-benzylcarbamoylpiperidin-4-ylamino)phenyl]...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C26H26BrN3O6S/c27-21-22(36-15-20(31)32)24(25(33)34)37-23(21)17-7-4-8-19(13-17)29-18-9-11-30(12-10-18)26(35)28-14-16-5-2-1-3-6-16/h1-8,13,18,29H,9-12,14-15H2,(H,28,35)(H,31,32)(H,33,34)
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Similars
Article
PubMed
 300n/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