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SMILES: OC(=O)C(=O)Nc1sc2C(CNC(=O)c3cc4cc(F)ccc4[nH]3)NCCc2c1C(O)=O

InChI Key: InChIKey=AHNINDXHAUPKPK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50151008   
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))		BDBM50151008
PNG
((7S)-2-[(carboxycarbonyl)amino]-7-({[(5-fluoro-1H-...)
Show SMILES OC(=O)C(=O)Nc1sc2C(CNC(=O)c3cc4cc(F)ccc4[nH]3)NCCc2c1C(O)=O
Show InChI InChI=1S/C20H17FN4O6S/c21-9-1-2-11-8(5-9)6-12(24-11)16(26)23-7-13-15-10(3-4-22-13)14(19(28)29)18(32-15)25-17(27)20(30)31/h1-2,5-6,13,22,24H,3-4,7H2,(H,23,26)(H,25,27)(H,28,29)(H,30,31)
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Similars
Article
PubMed
 18n/an/an/an/an/an/a5.5n/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein-tyrosine phosphatase 1B at pH 5.5

J Med Chem 47: 4142-6 (2004)


Article DOI: 10.1021/jm030629n
BindingDB Entry DOI: 10.7270/Q2571BGC
More data for this
Ligand-Target Pair