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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 = 'BDBM50320949'   
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))		BDBM50320949
PNG
((3S,20S,23S)-3-(4'-Nitrobenzylamino)-20,23-dihydro...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](-[#6]-[#6][C@]23[#6])-[#7]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r|
Show InChI InChI=1S/C36H52N2O5/c1-22(2)19-25-20-36(40,32(39)43-25)28-13-12-27-26(28)11-14-30-34(27,5)17-15-29-33(3,4)31(16-18-35(29,30)6)37-21-23-7-9-24(10-8-23)38(41)42/h7-10,19,25-31,37,40H,11-18,20-21H2,1-6H3/t25-,26+,27-,28+,29+,30+,31?,34+,35+,36+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.58E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP hydrolase assay

Bioorg Med Chem 18: 3934-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25
More data for this
Ligand-Target Pair