Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'amini' and Initial = 'm'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50422387 (CHEMBL4159171) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C52H76N4O2/c1-53-35-17-7-5-6-8-18-36-54(2)38-20-10-12-22-40-56(44-50-24-14-16-26-52(50)58-4)42-46-29-33-48(34-30-46)47-31-27-45(28-32-47)41-55(39-21-11-9-19-37-53)43-49-23-13-15-25-51(49)57-3/h13-16,23-34H,5-12,17-22,35-44H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464028 (CHEMBL4241164) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20ClN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 10 mins followed by subst...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50268048 (CHEMBL4098491) Show SMILES COc1ccc(cc1)C1C(C#N)=C(NC(=O)CN2CCN(CC2)c2ccccc2)Oc2c1c(=O)oc1ccccc21 |t:12| Show InChI InChI=1S/C32H28N4O5/c1-39-23-13-11-21(12-14-23)28-25(19-33)31(41-30-24-9-5-6-10-26(24)40-32(38)29(28)30)34-27(37)20-35-15-17-36(18-16-35)22-7-3-2-4-8-22/h2-14,28H,15-18,20H2,1H3,(H,34,37)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, International Campus (TUMS-IC), Tehran University of Medical Sciences, Tehran, Iran. Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot ...				Bioorg Med Chem 25: 3980-3988 (2017) Article DOI: 10.1016/j.bmc.2017.05.043 BindingDB Entry DOI: 10.7270/Q25Q4ZK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50422394 (CHEMBL3558149) Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39(29-19-9-5-15-25-37)27-17-7-3-4-8-18-28-40(30-20-10-6-16-26-38)32-34-22-12-14-24-36(34)42-2/h11-14,21-24H,3-10,15-20,25-32,37-38H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50189988 (CHEMBL214101 | Rofecoxib analogue) Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1 |c:4| Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50189989 (4-(4-methylphenyl)-1-[4-(5-tetrazolyl)phenyl]-3-(t...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C18H13F3N6/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-27(15)14-8-6-13(7-9-14)17-22-25-26-23-17/h2-10H,1H3,(H,22,23,25,26)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (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)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus-infected insect cells using Rh-EVNLDAEFK-quencher as substrate mea...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Bos taurus)	BDBM50129504 (6-Ethylsulfanyl-3-(4-methanesulfonyl-phenyl)-4-phe...) Show SMILES CCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C20H18O4S2/c1-3-25-18-13-17(14-7-5-4-6-8-14)19(20(21)24-18)15-9-11-16(12-10-15)26(2,22)23/h4-13H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50129504 (6-Ethylsulfanyl-3-(4-methanesulfonyl-phenyl)-4-phe...) Show SMILES CCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C20H18O4S2/c1-3-25-18-13-17(14-7-5-4-6-8-14)19(20(21)24-18)15-9-11-16(12-10-15)26(2,22)23/h4-13H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibition against ovine Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 13: 2205-9 (2003) BindingDB Entry DOI: 10.7270/Q2J102KC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (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)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50189988 (CHEMBL214101 | Rofecoxib analogue) Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1 |c:4| Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50189989 (4-(4-methylphenyl)-1-[4-(5-tetrazolyl)phenyl]-3-(t...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C18H13F3N6/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-27(15)14-8-6-13(7-9-14)17-22-25-26-23-17/h2-10H,1H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM13065 (5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, International Campus (TUMS-IC), Tehran University of Medical Sciences, Tehran, Iran. Curated by ChEMBL					Assay Description Inhibition of human BACE1 using Rh-EVNLDAEFK-quencher as substrate measured after 60 mins by FRET assay				Bioorg Med Chem 25: 3980-3988 (2017) Article DOI: 10.1016/j.bmc.2017.05.043 BindingDB Entry DOI: 10.7270/Q25Q4ZK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured f...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mi...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, International Campus (TUMS-IC), Tehran University of Medical Sciences, Tehran, Iran. Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 6 mins by Ellman's method				Bioorg Med Chem 25: 3980-3988 (2017) Article DOI: 10.1016/j.bmc.2017.05.043 BindingDB Entry DOI: 10.7270/Q25Q4ZK4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10949 (3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human AChE				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10949 (3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, International Campus (TUMS-IC), Tehran University of Medical Sciences, Tehran, Iran. Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 25: 3980-3988 (2017) Article DOI: 10.1016/j.bmc.2017.05.043 BindingDB Entry DOI: 10.7270/Q25Q4ZK4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432281 (CHEMBL2347671) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Bos taurus)	BDBM11639 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibition against ovine Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 13: 2205-9 (2003) BindingDB Entry DOI: 10.7270/Q2J102KC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432287 (CHEMBL2347677) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432286 (CHEMBL2347667) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464028 (CHEMBL4241164) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20ClN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432280 (CHEMBL2347672) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422387 (CHEMBL4159171) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C52H76N4O2/c1-53-35-17-7-5-6-8-18-36-54(2)38-20-10-12-22-40-56(44-50-24-14-16-26-52(50)58-4)42-46-29-33-48(34-30-46)47-31-27-45(28-32-47)41-55(39-21-11-9-19-37-53)43-49-23-13-15-25-51(49)57-3/h13-16,23-34H,5-12,17-22,35-44H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Bos taurus)	BDBM50134831 (6-Ethoxy-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-...) Show SMILES CCOc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C20H17FO5S/c1-3-25-18-12-17(13-4-8-15(21)9-5-13)19(20(22)26-18)14-6-10-16(11-7-14)27(2,23)24/h4-12H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495225 (CHEMBL3103780) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2S2/c1-24-17-19-15(11-3-7-13(18)8-4-11)16(20-21-17)12-5-9-14(10-6-12)25(2,22)23/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432285 (CHEMBL2347668) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464019 (CHEMBL4245106) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C26H23N2/c1-20-12-14-21(15-13-20)17-27-16-6-7-22(18-27)19-28-25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-16,18H,17,19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50432279 (CHEMBL2347673) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422386 (CHEMBL4169820) Show SMILES Cc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C52H78N4O2/c1-4-5-6-7-8-12-21-36-56(44-50-30-15-17-32-52(50)58-3)37-22-13-11-20-34-54-42-48-28-24-26-46(40-48)38-45-25-23-27-47(39-45)41-53-33-18-9-10-19-35-55-43-49-29-14-16-31-51(49)57-2/h14-17,23-32,39-40,53-55H,4-13,18-22,33-38,41-44H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464031 (CHEMBL4248896) Show SMILES [Br-].Fc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20FN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495224 (CHEMBL3103781) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H14FN3O2S2/c1-24-17-19-15(11-3-7-13(18)8-4-11)16(20-21-17)12-5-9-14(10-6-12)25(2,22)23/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464025 (CHEMBL4244170) Show SMILES [Br-].Clc1cccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)c1 Show InChI InChI=1S/C25H20ClN2/c26-21-9-5-7-19(15-21)16-27-14-6-8-20(17-27)18-28-24-12-3-1-10-22(24)23-11-2-4-13-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432287 (CHEMBL2347677) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H16N2O2S2/c1-22-17-18-15(12-6-4-3-5-7-12)16(19-17)13-8-10-14(11-9-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432281 (CHEMBL2347671) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-16(13-7-5-4-6-8-13)17(20-18)14-9-11-15(12-10-14)24(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495223 (CHEMBL3103779) Show SMILES COc1ccc(cc1)-c1nc(SC)nnc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N3O3S2/c1-24-14-8-4-12(5-9-14)16-17(20-21-18(19-16)25-2)13-6-10-15(11-7-13)26(3,22)23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495222 (CHEMBL3103782) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H17N3O2S2/c1-12-4-6-13(7-5-12)16-17(20-21-18(19-16)24-2)14-8-10-15(11-9-14)25(3,22)23/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50495226 (CHEMBL3103783) Show SMILES CSc1nnc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H15N3O2S2/c1-23-17-18-15(12-6-4-3-5-7-12)16(19-20-17)13-8-10-14(11-9-13)24(2,21)22/h3-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay				Bioorg Med Chem 22: 865-73 (2014) Article DOI: 10.1016/j.bmc.2013.12.002 BindingDB Entry DOI: 10.7270/Q2319ZV3
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421756 (CHEMBL4161385) Show SMILES [Cl-].Clc1ccccc1C[n+]1cccc(Cn2c3CCCCc3c3ccccc23)c1 Show InChI InChI=1S/C14H15NO2S/c1-9-8-18-14(17)12-6-10-4-2-3-5-11(10)7-15(12)13(9)16/h2-5,9,12H,6-8H2,1H3/t9-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (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)	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	210	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem 15: 1976-82 (2007) Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432286 (CHEMBL2347667) Show SMILES CSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H15FN2O2S2/c1-23-17-19-15(11-3-7-13(18)8-4-11)16(20-17)12-5-9-14(10-6-12)24(2,21)22/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464021 (CHEMBL4241338) Show SMILES [Br-].Cc1ccccc1C[n+]1cccc(Cn2c3ccccc3c3ccccc23)c1 Show InChI InChI=1S/C26H23N2/c1-20-9-2-3-11-22(20)19-27-16-8-10-21(17-27)18-28-25-14-6-4-12-23(25)24-13-5-7-15-26(24)28/h2-17H,18-19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421747 (CHEMBL4171576) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C11H17NO2S/c1-7-11(14)15-8(2)10(13)12(7)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50432280 (CHEMBL2347672) Show SMILES CCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2S2/c1-3-24-18-20-16(12-4-8-14(19)9-5-12)17(21-18)13-6-10-15(11-7-13)25(2,22)23/h4-11H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair

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