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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 = 'BDBM50423984'   
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))		BDBM50423984
PNG
(CHEMBL2313419)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6][C@]3([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]2[C@@]4([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6@@H]4-[#6]-[#6][C@@]32[#6])[#6](=O)-[#8]1 |r|
Show InChI InChI=1S/C30H48O4/c1-18(2)16-19-17-30(33,25(32)34-19)21-10-14-28(6)20(21)8-9-23-27(5)13-12-24(31)26(3,4)22(27)11-15-29(23,28)7/h16,19-24,31,33H,8-15,17H2,1-7H3/t19-,20+,21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
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Similars
Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)

Bioorg Med Chem Lett 23: 297-300 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.097
BindingDB Entry DOI: 10.7270/Q2CJ8FS8
More data for this
Ligand-Target Pair