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SMILES: CCOC(=O)C1=CC(C2C(=O)CC(C)(C)CC2=N1)c1ccc(Br)cc1

InChI Key: InChIKey=HOFOTNXVWIWZLG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320883   
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))		BDBM50320883
PNG
(CHEMBL1164164 | Ethyl-4-(4-bromophenyl)-7,7-dimeth...)
Show SMILES CCOC(=O)C1=CC(C2C(=O)CC(C)(C)CC2=N1)c1ccc(Br)cc1 |c:17,t:5|
Show InChI InChI=1S/C20H22BrNO3/c1-4-25-19(24)15-9-14(12-5-7-13(21)8-6-12)18-16(22-15)10-20(2,3)11-17(18)23/h5-9,14,18H,4,10-11H2,1-3H3
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Similars
Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as p-nitrophenolate ion production pretreated for 10 mins measured after 30 mins

Bioorg Med Chem 18: 4138-48 (2010)


Article DOI: 10.1016/j.bmc.2009.11.061
BindingDB Entry DOI: 10.7270/Q2DJ5FSF
More data for this
Ligand-Target Pair