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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50346333'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50346333
PNG
((1S,3aR,5R,12aR)-3,3a,4,5-tetrahydro-8,10-dihydrox...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6][C@]12[#8]C([#6])([#6])[#6@H]3-[#6]-[#6@H](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])cc(-[#8])cc5-[#8][C@]134)-[#6]2=O |r,t:13,TLB:28:27:26:6.7,28:27:13.14:11.10,4:5:13.14:11.10,6:5:13.14:11.10,THB:13:12:26:6.7|
Show InChI InChI=1S/C23H24O6/c1-11(2)5-6-22-20(27)12-7-14-19(26)18-15(25)9-13(24)10-16(18)28-23(14,22)17(8-12)21(3,4)29-22/h5,7,9-10,12,17,24-25H,6,8H2,1-4H3/t12-,17+,22+,23-/m0/s1
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Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli assessed as reduction in p-nitrophenol formation using p-nitr...


J Nat Prod 82: 657-679 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00018
BindingDB Entry DOI: 10.7270/Q29W0JTR
More data for this
Ligand-Target Pair