Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'masand' and Initial = 'vh'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021461 (CHEMBL3289927) Show SMILES CCOC(OCC)c1ccc(\C=C2/CN(C)C\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H39NO5/c1-6-33-29(34-7-2)24-14-10-22(11-15-24)18-26-20-31(5)21-27(28(26)32)19-23-12-16-25(17-13-23)30(35-8-3)36-9-4/h10-19,29-30H,6-9,20-21H2,1-5H3/b26-18+,27-19+	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/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021471 (CHEMBL3289937) Show SMILES CN(C)c1ccc(\C=C2\CN(C)C\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H27N5O5/c1-25(2)20-8-6-16(22(12-20)28(31)32)10-18-14-27(5)15-19(24(18)30)11-17-7-9-21(26(3)4)13-23(17)29(33)34/h6-13H,14-15H2,1-5H3/b18-10-,19-11+	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/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153295 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c2ccccc12 |c:9| Show InChI InChI=1S/C30H27ClN4O3/c1-34(2)26-13-12-24(22-5-3-4-6-23(22)26)27-18-25(19-7-14-28-29(17-19)38-16-15-37-28)33-35(27)30(36)32-21-10-8-20(31)9-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021470 (CHEMBL3289936) Show SMILES CN(C)c1ccc(\C=C2\CNC\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H25N5O5/c1-25(2)19-7-5-15(21(11-19)27(30)31)9-17-13-24-14-18(23(17)29)10-16-6-8-20(26(3)4)12-22(16)28(32)33/h5-12,24H,13-14H2,1-4H3/b17-9-,18-10+	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/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021447 (CHEMBL3289926) Show SMILES CCOC(OCC)c1ccc(\C=C2/CNC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H37NO5/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-30-20-26(27(25)31)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-30H,5-8,19-20H2,1-4H3/b25-17+,26-18+	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/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153297 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14| Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153294 (3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14| Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153289 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c2ccccc12 |c:9| Show InChI InChI=1S/C24H24N4O2S/c1-27(2)20-9-8-18(16-5-3-4-6-17(16)20)21-14-19(26-28(21)24(25)31)15-7-10-22-23(13-15)30-12-11-29-22/h3-10,13,21H,11-12,14H2,1-2H3,(H2,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153296 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c1OC |c:14| Show InChI InChI=1S/C30H26ClN3O5/c1-36-27-15-18-5-3-4-6-22(18)28(29(27)37-2)24-17-23(19-7-12-25-26(16-19)39-14-13-38-25)33-34(24)30(35)32-21-10-8-20(31)9-11-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021469 (CHEMBL3289935) Show SMILES CN(C)c1ccc(\C=C2\COC\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O6/c1-24(2)19-7-5-15(21(11-19)26(29)30)9-17-13-33-14-18(23(17)28)10-16-6-8-20(25(3)4)12-22(16)27(31)32/h5-12H,13-14H2,1-4H3/b17-9-,18-10+	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/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153292 (3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c2ccccc12 |c:9| Show InChI InChI=1S/C30H25ClN4O2/c1-34(2)26-16-15-24(22-8-4-5-9-23(22)26)27-18-25(29-17-19-7-3-6-10-28(19)37-29)33-35(27)30(36)32-21-13-11-20(31)12-14-21/h3-17,27H,18H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153293 (3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14| Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021481 (CHEMBL3290190) Show SMILES CN1C\C(=C\c2ccc(cc2)N2CCCC2)C(=O)\C(C1)=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C28H33N3O/c1-29-20-24(18-22-6-10-26(11-7-22)30-14-2-3-15-30)28(32)25(21-29)19-23-8-12-27(13-9-23)31-16-4-5-17-31/h6-13,18-19H,2-5,14-17,20-21H2,1H3/b24-18-,25-19+	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/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153291 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14| Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153290 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c1OC |c:14| Show InChI InChI=1S/C24H23N3O4S/c1-28-21-11-14-5-3-4-6-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)32)15-7-8-19-20(12-15)31-10-9-30-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,25,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.44E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153286 (3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c2ccccc12 |c:9| Show InChI InChI=1S/C24H22N4OS/c1-27(2)20-12-11-18(16-8-4-5-9-17(16)20)21-14-19(26-28(21)24(25)30)23-13-15-7-3-6-10-22(15)29-23/h3-13,21H,14H2,1-2H3,(H2,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153294 (3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14| Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.02E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM153297 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14| Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153283 (1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-dimethy...) Show SMILES CN(C)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)c2ccccc12 Show InChI InChI=1S/C23H21NO3/c1-24(2)20-10-7-16(18-5-3-4-6-19(18)20)8-11-21(25)17-9-12-22-23(15-17)27-14-13-26-22/h3-12,15H,13-14H2,1-2H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.06E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM153291 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14| Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153287 (3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14| Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.22E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153288 (3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14| Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153285 (1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4,7-dimet...) Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2ccc3OCCOc3c2)c1OC Show InChI InChI=1S/C23H20O5/c1-25-22-13-15-5-3-4-6-17(15)18(23(22)26-2)8-9-19(24)16-7-10-20-21(14-16)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.22E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM153294 (3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14| Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.46E+3	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153292 (3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c2ccccc12 |c:9| Show InChI InChI=1S/C30H25ClN4O2/c1-34(2)26-16-15-24(22-8-4-5-9-23(22)26)27-18-25(29-17-19-7-3-6-10-28(19)37-29)33-35(27)30(36)32-21-13-11-20(31)12-14-21/h3-17,27H,18H2,1-2H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM153288 (3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14| Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.17E+3	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153280 (1-Benzofuran-2-yl-3-(4-dimethylamino-naphthalen-1-...) Show SMILES CN(O)c1ccc(\C=C\C(=O)c2cc3ccccc3o2)c2ccccc12 Show InChI InChI=1S/C22H17NO3/c1-23(25)19-12-10-15(17-7-3-4-8-18(17)19)11-13-20(24)22-14-16-6-2-5-9-21(16)26-22/h2-14,25H,1H3/b13-11+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.27E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021480 (CHEMBL3290189) Show SMILES O=C1\C(CNC\C1=C/c1ccc(cc1)N1CCCC1)=C/c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C27H31N3O/c31-27-23(17-21-5-9-25(10-6-21)29-13-1-2-14-29)19-28-20-24(27)18-22-7-11-26(12-8-22)30-15-3-4-16-30/h5-12,17-18,28H,1-4,13-16,19-20H2/b23-17-,24-18+	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/a	n/a	9.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153295 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c2ccccc12 |c:9| Show InChI InChI=1S/C30H27ClN4O3/c1-34(2)26-13-12-24(22-5-3-4-6-23(22)26)27-18-25(19-7-14-28-29(17-19)38-16-15-37-28)33-35(27)30(36)32-21-10-8-20(31)9-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.72E+3	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153288 (3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14| Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153293 (3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14| Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153284 (1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2,3-dimet...) Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C23H20O5/c1-25-17-6-7-18-19(14-17)15(4-9-21(18)26-2)3-8-20(24)16-5-10-22-23(13-16)28-12-11-27-22/h3-10,13-14H,11-12H2,1-2H3/b8-3+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153297 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14| Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153282 (1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153296 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...) Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c1OC |c:14| Show InChI InChI=1S/C30H26ClN3O5/c1-36-27-15-18-5-3-4-6-22(18)28(29(27)37-2)24-17-23(19-7-12-25-26(16-19)39-14-13-38-25)33-34(24)30(35)32-21-10-8-20(31)9-11-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153287 (3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14| Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50021447 (CHEMBL3289926) Show SMILES CCOC(OCC)c1ccc(\C=C2/CNC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C29H37NO5/c1-5-32-28(33-6-2)23-13-9-21(10-14-23)17-25-19-30-20-26(27(25)31)18-22-11-15-24(16-12-22)29(34-7-3)35-8-4/h9-18,28-30H,5-8,19-20H2,1-4H3/b25-17+,26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021417 (CHEMBL3289924) Show SMILES CCOC(OCC)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1 Show InChI InChI=1S/C30H38O5/c1-5-32-29(33-6-2)24-16-12-22(13-17-24)20-26-10-9-11-27(28(26)31)21-23-14-18-25(19-15-23)30(34-7-3)35-8-4/h12-21,29-30H,5-11H2,1-4H3/b26-20+,27-21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153285 (1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4,7-dimet...) Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2ccc3OCCOc3c2)c1OC Show InChI InChI=1S/C23H20O5/c1-25-22-13-15-5-3-4-6-17(15)18(23(22)26-2)8-9-19(24)16-7-10-20-21(14-16)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM153282 (1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153291 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14| Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM153282 (1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...) Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153289 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c2ccccc12 |c:9| Show InChI InChI=1S/C24H24N4O2S/c1-27(2)20-9-8-18(16-5-3-4-6-17(16)20)21-14-19(26-28(21)24(25)31)15-7-10-22-23(13-15)30-12-11-29-22/h3-10,13,21H,11-12,14H2,1-2H3,(H2,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Phospholipase A2 group V (Homo sapiens (Human))	BDBM153293 (3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...) Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14| Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	7.5	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM153286 (3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...) Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c2ccccc12 |c:9| Show InChI InChI=1S/C24H22N4OS/c1-27(2)20-12-11-18(16-8-4-5-9-17(16)20)21-14-19(26-28(21)24(25)30)23-13-15-7-3-6-10-22(15)29-23/h3-13,21H,14H2,1-2H3,(H2,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	8.0	25
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz					Assay Description 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 85: 729-42 (2015) Article DOI: 10.1111/cbdd.12457 BindingDB Entry DOI: 10.7270/Q26W98TX
					More data for this Ligand-Target Pair

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