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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50320931   
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))
BDBM50320931
PNG
((3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...)
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@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r|
Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,27-,28-,29+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50320931
PNG
((3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...)
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@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r|
Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,27-,28-,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+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