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SMILES: Fc1ccc(COC(=O)c2cn(C3CC3)c3ccc(Cc4ccc(F)cc4)cc3c2=O)cc1

InChI Key: InChIKey=HMHSNGNALIYVJG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045055   
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))		BDBM50045055
PNG
(CHEMBL3309778)
Show SMILES Fc1ccc(COC(=O)c2cn(C3CC3)c3ccc(Cc4ccc(F)cc4)cc3c2=O)cc1
Show InChI InChI=1S/C27H21F2NO3/c28-20-6-1-17(2-7-20)13-19-5-12-25-23(14-19)26(31)24(15-30(25)22-10-11-22)27(32)33-16-18-3-8-21(29)9-4-18/h1-9,12,14-15,22H,10-11,13,16H2
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Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay

Bioorg Med Chem 22: 3670-83 (2014)


Article DOI: 10.1016/j.bmc.2014.05.028
BindingDB Entry DOI: 10.7270/Q2G44RX2
More data for this
Ligand-Target Pair