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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'rahuja' and Initial = 'n'   
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))
BDBM50401043
PNG
(CHEMBL2206342)
Show SMILES CCC(=O)c1c(O)cccc1OCCCNc1ccc(OC)cc1
Show InChI InChI=1S/C19H23NO4/c1-3-16(21)19-17(22)6-4-7-18(19)24-13-5-12-20-14-8-10-15(23-2)11-9-14/h4,6-11,20,22H,3,5,12-13H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50401044
PNG
(CHEMBL2206341)
Show SMILES CCC(=O)c1c(O)cccc1OCCCNc1ccc(C)cc1
Show InChI InChI=1S/C19H23NO3/c1-3-16(21)19-17(22)6-4-7-18(19)23-13-5-12-20-15-10-8-14(2)9-11-15/h4,6-11,20,22H,3,5,12-13H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 1.52E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50401041
PNG
(CHEMBL2206831)
Show SMILES CCOC(=O)C(CCCOc1cccc(OCCN2CCCC2)c1C(=O)CC)C(=O)OCC
Show InChI InChI=1S/C25H37NO7/c1-4-20(27)23-21(12-9-13-22(23)33-18-16-26-14-7-8-15-26)32-17-10-11-19(24(28)30-5-2)25(29)31-6-3/h9,12-13,19H,4-8,10-11,14-18H2,1-3H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50401045
PNG
(CHEMBL2206340)
Show SMILES CCCCNCCCOc1cccc(O)c1C(=O)CC
Show InChI InChI=1S/C16H25NO3/c1-3-5-10-17-11-7-12-20-15-9-6-8-14(19)16(15)13(18)4-2/h6,8-9,17,19H,3-5,7,10-12H2,1-2H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50401042
PNG
(CHEMBL2206347)
Show SMILES CCOC(=O)C(CCCOc1cccc(OCCN(C)C)c1C(=O)CC)C(=O)OCC
Show InChI InChI=1S/C23H35NO7/c1-6-18(25)21-19(12-9-13-20(21)31-16-14-24(4)5)30-15-10-11-17(22(26)28-7-2)23(27)29-8-3/h9,12-13,17H,6-8,10-11,14-16H2,1-5H3
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n/an/a 2.04E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50294475
PNG
((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)
Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7|
Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1
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n/an/a 5.15E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal alpha-glucosidase


Bioorg Med Chem Lett 19: 2699-703 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.136
BindingDB Entry DOI: 10.7270/Q20V8CTK
More data for this
Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1


(Rattus norvegicus)
BDBM50294478
PNG
((E)-4-phenyl-1-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-...)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O6/c17-9-13-15(20)16(21)14(19)12(22-13)8-11(18)7-6-10-4-2-1-3-5-10/h1-7,12-17,19-21H,8-9H2/t12-,13+,14-,15+,16+/m0/s1
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n/an/a 8.70E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat liver glucose-6-phosphatase


Bioorg Med Chem Lett 19: 2699-703 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.136
BindingDB Entry DOI: 10.7270/Q20V8CTK
More data for this
Ligand-Target Pair
Glucose-6-phosphatase catalytic subunit 1


(Rattus norvegicus)
BDBM50294477
PNG
((E)-1-(beta-D-glucopyranosyl)-4-(4'-chlorophenyl)b...)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H19ClO6/c17-10-4-1-9(2-5-10)3-6-11(19)7-12-14(20)16(22)15(21)13(8-18)23-12/h1-6,12-16,18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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n/an/a 8.70E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat liver glucose-6-phosphatase


Bioorg Med Chem Lett 19: 2699-703 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.136
BindingDB Entry DOI: 10.7270/Q20V8CTK
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Rattus norvegicus)
BDBM50294476
PNG
((E)-4-(naphthalen-2-yl)-1-((2S,3R,4R,5S,6R)-3,4,5-...)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C20H22O6/c21-11-17-19(24)20(25)18(23)16(26-17)10-15(22)8-6-12-5-7-13-3-1-2-4-14(13)9-12/h1-9,16-21,23-25H,10-11H2/t16-,17+,18-,19+,20+/m0/s1
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n/an/a 9.80E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat liver glycogen phosphatase


Bioorg Med Chem Lett 19: 2699-703 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.136
BindingDB Entry DOI: 10.7270/Q20V8CTK
More data for this
Ligand-Target Pair