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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'mohan' and Initial = 'cg'   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 150n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 180n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336472
PNG
(5-bromo-2-methoxy-N-(4-(piperidin-1-ylmethyl)pheny...)
Show SMILES COc1ccc(Br)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H23BrN2O2/c1-25-19-10-7-16(21)13-18(19)20(24)22-17-8-5-15(6-9-17)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336473
PNG
(CHEMBL1668494 | N1-cyclohexyl-N4-(4-methyl-2-(pyrr...)
Show SMILES Cc1cc(nc2ccc(NC(=O)CCC(=O)NC3CCCCC3)cc12)N1CCCC1
Show InChI InChI=1S/C24H32N4O2/c1-17-15-22(28-13-5-6-14-28)27-21-10-9-19(16-20(17)21)26-24(30)12-11-23(29)25-18-7-3-2-4-8-18/h9-10,15-16,18H,2-8,11-14H2,1H3,(H,25,29)(H,26,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM51607
PNG
((3E)-6-hexyl-3-[5-(2-methoxyphenyl)-3H-1,3,4-oxadi...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|
Show InChI InChI=1S/C24H24N2O5/c1-3-4-5-6-9-15-12-16-13-18(24(28)30-21(16)14-19(15)27)23-26-25-22(31-23)17-10-7-8-11-20(17)29-2/h7-8,10-14,26H,3-6,9H2,1-2H3/b23-18+
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336471
PNG
(CHEMBL1668492 | N'-(5-Ethyl-1,2,3,4-tetrahydro-7-t...)
Show SMILES CCc1nc2sc3c(NCCN(C)C)ncnc3c2c2CCCCc12
Show InChI InChI=1S/C19H25N5S/c1-4-14-12-7-5-6-8-13(12)15-16-17(25-19(15)23-14)18(22-11-21-16)20-9-10-24(2)3/h11H,4-10H2,1-3H3,(H,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336470
PNG
(2-(2,4-dimethylphenoxy)-N-(4-(piperidin-1-ylmethyl...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1
Show InChI InChI=1S/C22H28N2O2/c1-17-6-11-21(18(2)14-17)26-16-22(25)23-20-9-7-19(8-10-20)15-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336469
PNG
(CHEMBL1668491 | N,N'-(2-chloro-1,4-phenylene)bis(2...)
Show SMILES Clc1cc(NC(=O)CN2CCCCC2)ccc1NC(=O)CN1CCCCC1
Show InChI InChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336468
PNG
(1-(5-(4-(azepane-1-carbonyl)piperidin-1-yl)-1,3,4-...)
Show SMILES O=C(C1CCN(CC1)c1nnc(s1)N1CCCC1=O)N1CCCCCC1
Show InChI InChI=1S/C18H27N5O2S/c24-15-6-5-11-23(15)18-20-19-17(26-18)22-12-7-14(8-13-22)16(25)21-9-3-1-2-4-10-21/h14H,1-13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336467
PNG
(CHEMBL1668489 | N-[3-((3R,5R)-3,5-Dimethyl-piperid...)
Show SMILES CCc1nn(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3sc(C)cc3n12 |r|
Show InChI InChI=1S/C23H33N5O2S/c1-5-21-25-27(23(30)19-11-20-18(28(19)21)10-17(4)31-20)14-22(29)24-7-6-8-26-12-15(2)9-16(3)13-26/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,29)/t15-,16-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336474
PNG
(CHEMBL1668495 | ethyl 4-(3,4-dimethoxyphenyl)-2-(3...)
Show SMILES CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)scc1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H32N2O5S/c1-5-31-24(28)22-18(17-6-7-19(29-3)20(14-17)30-4)15-32-23(22)25-21(27)10-13-26-11-8-16(2)9-12-26/h6-7,14-16H,5,8-13H2,1-4H3,(H,25,27)
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n/an/a 3.28E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336475
PNG
((S)-ethyl 5-methyl-2-(3-(4-methylpiperidin-1-yl)pr...)
Show SMILES CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2CC[C@H](C)Cc12 |r|
Show InChI InChI=1S/C21H32N2O3S/c1-4-26-21(25)19-16-13-15(3)5-6-17(16)27-20(19)22-18(24)9-12-23-10-7-14(2)8-11-23/h14-15H,4-13H2,1-3H3,(H,22,24)/t15-/m0/s1
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n/an/a 5.99E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338666
PNG
(5,6,7-trihydroxy-2-methyl-4H-chromen-4-one | CHEMB...)
Show SMILES Cc1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C10H8O5/c1-4-2-5(11)8-7(15-4)3-6(12)9(13)10(8)14/h2-3,12-14H,1H3
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n/an/a 8.87E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338658
PNG
(5-hydroxy-2-methyl-6,7-bis[(3-methylbut-2-en-1-yl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C20H24O5/c1-12(2)6-8-23-17-11-16-18(15(21)10-14(5)25-16)19(22)20(17)24-9-7-13(3)4/h6-7,10-11,22H,8-9H2,1-5H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338657
PNG
(5-hydroxy-2-methyl-6,7-bis(prop-2-en-1-yloxy)-4H-c...)
Show SMILES Cc1cc(=O)c2c(O)c(OCC=C)c(OCC=C)cc2o1
Show InChI InChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338666
PNG
(5,6,7-trihydroxy-2-methyl-4H-chromen-4-one | CHEMB...)
Show SMILES Cc1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C10H8O5/c1-4-2-5(11)8-7(15-4)3-6(12)9(13)10(8)14/h2-3,12-14H,1H3
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n/an/a 1.44E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338665
PNG
(5,6-dihydroxy-7-methoxy-2-methyl-4H-chromen-4-one ...)
Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1O
Show InChI InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3
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n/an/a 1.54E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338668
PNG
(5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl...)
Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C16H18O5/c1-9(2)5-6-20-16-13(19-4)8-12-14(15(16)18)11(17)7-10(3)21-12/h5,7-8,18H,6H2,1-4H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338658
PNG
(5-hydroxy-2-methyl-6,7-bis[(3-methylbut-2-en-1-yl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C20H24O5/c1-12(2)6-8-23-17-11-16-18(15(21)10-14(5)25-16)19(22)20(17)24-9-7-13(3)4/h6-7,10-11,22H,8-9H2,1-5H3
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n/an/a 1.72E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338664
PNG
(6,7-dimethoxy-2-methyl-5-[(3-methylbut-2-en-1-yl)o...)
Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C17H20O5/c1-10(2)6-7-21-17-15-12(18)8-11(3)22-13(15)9-14(19-4)16(17)20-5/h6,8-9H,7H2,1-5H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338662
PNG
(5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-one | CH...)
Show SMILES COc1cc(O)c2c(c1)oc(C)cc2=O
Show InChI InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3
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n/an/a 1.78E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338667
PNG
(5-hydroxy-7-methoxy-2-methyl-6-(prop-2-en-1-yloxy)...)
Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OCC=C
Show InChI InChI=1S/C14H14O5/c1-4-5-18-14-11(17-3)7-10-12(13(14)16)9(15)6-8(2)19-10/h4,6-7,16H,1,5H2,2-3H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338668
PNG
(5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl...)
Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8])c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C16H18O5/c1-9(2)5-6-20-16-13(19-4)8-12-14(15(16)18)11(17)7-10(3)21-12/h5,7-8,18H,6H2,1-4H3
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n/an/a 1.87E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338661
PNG
(CHEMBL1684136 | Stellatin)
Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OC
Show InChI InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338665
PNG
(5,6-dihydroxy-7-methoxy-2-methyl-4H-chromen-4-one ...)
Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1O
Show InChI InChI=1S/C11H10O5/c1-5-3-6(12)9-7(16-5)4-8(15-2)10(13)11(9)14/h3-4,13-14H,1-2H3
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n/an/a 1.98E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338662
PNG
(5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-one | CH...)
Show SMILES COc1cc(O)c2c(c1)oc(C)cc2=O
Show InChI InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338663
PNG
(6,7-dimethoxy-2-methyl-5-(prop-2-en-1-yloxy)-4H-ch...)
Show SMILES COc1cc2oc(C)cc(=O)c2c(OCC=C)c1OC
Show InChI InChI=1S/C15H16O5/c1-5-6-19-15-13-10(16)7-9(2)20-11(13)8-12(17-3)14(15)18-4/h5,7-8H,1,6H2,2-4H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338657
PNG
(5-hydroxy-2-methyl-6,7-bis(prop-2-en-1-yloxy)-4H-c...)
Show SMILES Cc1cc(=O)c2c(O)c(OCC=C)c(OCC=C)cc2o1
Show InChI InChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338661
PNG
(CHEMBL1684136 | Stellatin)
Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OC
Show InChI InChI=1S/C12H12O5/c1-6-4-7(13)10-8(17-6)5-9(15-2)12(16-3)11(10)14/h4-5,14H,1-3H3
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n/an/a 2.23E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338664
PNG
(6,7-dimethoxy-2-methyl-5-[(3-methylbut-2-en-1-yl)o...)
Show SMILES [#6]-[#8]-c1cc2oc(-[#6])cc(=O)c2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C17H20O5/c1-10(2)6-7-21-17-15-12(18)8-11(3)22-13(15)9-14(19-4)16(17)20-5/h6,8-9H,7H2,1-5H3
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n/an/a 2.29E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338660
PNG
(8-bromo-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrome...)
Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Br)c1OC
Show InChI InChI=1S/C12H11BrO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338667
PNG
(5-hydroxy-7-methoxy-2-methyl-6-(prop-2-en-1-yloxy)...)
Show SMILES COc1cc2oc(C)cc(=O)c2c(O)c1OCC=C
Show InChI InChI=1S/C14H14O5/c1-4-5-18-14-11(17-3)7-10-12(13(14)16)9(15)6-8(2)19-10/h4,6-7,16H,1,5H2,2-3H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338659
PNG
(8-chloro-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrom...)
Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Cl)c1OC
Show InChI InChI=1S/C12H11ClO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3
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n/an/a 2.72E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338660
PNG
(8-bromo-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrome...)
Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Br)c1OC
Show InChI InChI=1S/C12H11BrO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3
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n/an/a 2.93E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50338663
PNG
(6,7-dimethoxy-2-methyl-5-(prop-2-en-1-yloxy)-4H-ch...)
Show SMILES COc1cc2oc(C)cc(=O)c2c(OCC=C)c1OC
Show InChI InChI=1S/C15H16O5/c1-5-6-19-15-13-10(16)7-9(2)20-11(13)8-12(17-3)14(15)18-4/h5,7-8H,1,6H2,2-4H3
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n/an/a 3.83E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50338659
PNG
(8-chloro-5-hydroxy-6,7-dimethoxy-2-methyl-4H-chrom...)
Show SMILES COc1c(O)c2c(oc(C)cc2=O)c(Cl)c1OC
Show InChI InChI=1S/C12H11ClO5/c1-5-4-6(14)7-9(15)12(17-3)11(16-2)8(13)10(7)18-5/h4,15H,1-3H3
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n/an/a 4.34E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 7.92E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 1612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.116
BindingDB Entry DOI: 10.7270/Q2CN746K
More data for this
Ligand-Target Pair