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SMILES: C[C@@H]1CC=CC(=C)[C@]1(C)CCC1=CC(O)OC1=O

InChI Key: InChIKey=DNVMNEBSCNECGO-ZHOBSPGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479040   
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))		BDBM50479040
PNG
(Hydroxybutenolide)
Show SMILES C[C@@H]1CC=CC(=C)[C@]1(C)CCC1=CC(O)OC1=O |r,c:3,t:12|
Show InChI InChI=1S/C15H20O3/c1-10-5-4-6-11(2)15(10,3)8-7-12-9-13(16)18-14(12)17/h4-5,9,11,13,16H,1,6-8H2,2-3H3/t11-,13?,15+/m1/s1
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NCI pathway
Reactome pathway
KEGG

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PC cid
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Article
PubMed
n/an/a 4.83E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B catalytic domain

J Nat Prod 71: 1399-403 (2008)


Article DOI: 10.1021/np8002035
BindingDB Entry DOI: 10.7270/Q2VT1VW1
More data for this
Ligand-Target Pair