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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50454316   
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))
BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate preincubated with enz...


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of alpha-glucosidase (unknown origin) assessed as enzyme-substrate-inhibitor complex formation using PNP-G as substrate by Line...


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair