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Compile Data Set for Download or QSAR

Found 10 hits from Dr. Reddy's Laboratories Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Homo sapiens (human))
BDBM50138408
PNG
(4-(3-Methyl-8-nitro-4-oxo-4,5-dihydro-pyrazolo[4,3...)
Show SMILES Cc1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1c(=O)[nH]c1ccc(cc21)[N+]([O-])=O
Show InChI InChI=1S/C17H13N5O5S/c1-9-15-16(13-8-11(22(24)25)4-7-14(13)19-17(15)23)21(20-9)10-2-5-12(6-3-10)28(18,26)27/h2-8H,1H3,(H,19,23)(H2,18,26,27)
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n/an/a 240n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 in sf-9 cells by spectrophotometric method at 10 microM


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50138407
PNG
(1-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-2...)
Show SMILES CS(=O)c1ccc(cc1)C(Nc1cccnc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O2S/c1-26(25)18-10-6-14(7-11-18)19(23-17-3-2-12-22-13-17)20(24)15-4-8-16(21)9-5-15/h2-13,19,23H,1H3
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n/an/a 500n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 in sf-9 cells by spectrophotometric method


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50138410
PNG
(3-Methyl-8-nitro-1-phenyl-1,5-dihydro-pyrazolo[4,3...)
Show SMILES Cc1nn(-c2ccccc2)c2c1c(=O)[nH]c1ccc(cc21)[N+]([O-])=O
Show InChI InChI=1S/C17H12N4O3/c1-10-15-16(20(19-10)11-5-3-2-4-6-11)13-9-12(21(23)24)7-8-14(13)18-17(15)22/h2-9H,1H3,(H,18,22)
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n/an/a 550n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 in sf-9 cells by spectrophotometric method at 10 microM


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged PDE4B (unknown origin) expressed in Sf9 cells using cAMP as substrate incubated for 15 mins prior to substrate a...


Eur J Med Chem 62: 395-404 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.052
BindingDB Entry DOI: 10.7270/Q2VM4DM4
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50138409
PNG
(1-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-2...)
Show SMILES CS(=O)c1ccc(cc1)C(Nc1nccs1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2S2/c1-25(23)15-8-4-12(5-9-15)16(21-18-20-10-11-24-18)17(22)13-2-6-14(19)7-3-13/h2-11,16H,1H3,(H,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 in sf-9 cells by spectrophotometric method


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50138408
PNG
(4-(3-Methyl-8-nitro-4-oxo-4,5-dihydro-pyrazolo[4,3...)
Show SMILES Cc1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1c(=O)[nH]c1ccc(cc21)[N+]([O-])=O
Show InChI InChI=1S/C17H13N5O5S/c1-9-15-16(13-8-11(22(24)25)4-7-14(13)19-17(15)23)21(20-9)10-2-5-12(6-3-10)28(18,26)27/h2-8H,1H3,(H,19,23)(H2,18,26,27)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase 1 enzyme from ram seminal vesicles by spectrophotometric method


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50138410
PNG
(3-Methyl-8-nitro-1-phenyl-1,5-dihydro-pyrazolo[4,3...)
Show SMILES Cc1nn(-c2ccccc2)c2c1c(=O)[nH]c1ccc(cc21)[N+]([O-])=O
Show InChI InChI=1S/C17H12N4O3/c1-10-15-16(20(19-10)11-5-3-2-4-6-11)13-9-12(21(23)24)7-8-14(13)18-17(15)22/h2-9H,1H3,(H,18,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase 1 enzyme from ram seminal vesicles by spectrophotometric method


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429820
PNG
(CHEMBL2337706)
Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccc(Br)cc1)C(=O)OCC)c1ccccc1OC
Show InChI InChI=1S/C24H24BrNO5/c1-4-30-23(27)18-14-26(20-8-6-7-9-21(20)29-3)15-19(24(28)31-5-2)22(18)16-10-12-17(25)13-11-16/h6-15,22H,4-5H2,1-3H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged PDE4B (unknown origin) expressed in Sf9 cells using cAMP as substrate incubated for 15 mins prior to substrate a...


Eur J Med Chem 62: 395-404 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.052
BindingDB Entry DOI: 10.7270/Q2VM4DM4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50138407
PNG
(1-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-2...)
Show SMILES CS(=O)c1ccc(cc1)C(Nc1cccnc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O2S/c1-26(25)18-10-6-14(7-11-18)19(23-17-3-2-12-22-13-17)20(24)15-4-8-16(21)9-5-15/h2-13,19,23H,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase 1 enzyme from ram seminal vesicles by spectrophotometric method


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50138409
PNG
(1-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-2...)
Show SMILES CS(=O)c1ccc(cc1)C(Nc1nccs1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2S2/c1-25(23)15-8-4-12(5-9-15)16(21-18-20-10-11-24-18)17(22)13-2-6-14(19)7-3-13/h2-11,16H,1H3,(H,20,21)
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n/an/a 5.00E+5n/an/an/an/an/an/a



Dr. Reddy's Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin G/H synthase 1 enzyme from ram seminal vesicles by spectrophotometric method


Bioorg Med Chem Lett 14: 445-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.052
BindingDB Entry DOI: 10.7270/Q2N58KSM
More data for this
Ligand-Target Pair