Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'pouplana' and Initial = 'r'   

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
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Non-competitive inhibition of rat liver mitochondrial MAO-B using phenylethylamine as substrate by Line-Weaver Burk plot analysis				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Mixed type inhibition of Electrophorus electricus AchE using acetylthiocholine as substrate by Line-Weaver Burk plot analysis				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359396 (CHEMBL1929420 | US8999994, 5) Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359395 (CHEMBL1929422) Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB 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	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50462860 (CHEMBL4241735) Show SMILES COc1ccc2cc(ccc2c1)S(C)(=O)=O Show InChI InChI=1S/C12H12O3S/c1-15-11-5-3-10-8-12(16(2,13)14)6-4-9(10)7-11/h3-8H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
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	51	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359390 (CHEMBL1929418 | CHEMBL2022924) Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C Show InChI InChI=1S/C21H22N2O/c1-4-12-22(2)15-19-13-18-14-20(10-11-21(18)23(19)3)24-16-17-8-6-5-7-9-17/h1,5-11,13-14H,12,15-16H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
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	100	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50462860 (CHEMBL4241735) Show SMILES COc1ccc2cc(ccc2c1)S(C)(=O)=O Show InChI InChI=1S/C12H12O3S/c1-15-11-5-3-10-8-12(16(2,13)14)6-4-9(10)7-11/h3-8H,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
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359390 (CHEMBL1929418 | CHEMBL2022924) Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C Show InChI InChI=1S/C21H22N2O/c1-4-12-22(2)15-19-13-18-14-20(10-11-21(18)23(19)3)24-16-17-8-6-5-7-9-17/h1,5-11,13-14H,12,15-16H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
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	100	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	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	PDB Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of cerebral human recombinant AchE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins measured...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359396 (CHEMBL1929420 | US8999994, 5) Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50326534 (CHEMBL1240537 | furan-3-yl(4-(methylsulfonyl)pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccoc1 Show InChI InChI=1S/C12H10O4S/c1-17(14,15)11-4-2-9(3-5-11)12(13)10-6-7-16-8-10/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359395 (CHEMBL1929422) Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50462866 (CHEMBL4238821) Show SMILES CS(=O)(=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C13H12O3S/c1-17(14,15)13-9-5-8-12(10-13)16-11-6-3-2-4-7-11/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50326520 (1-(4-(methylsulfonyl)phenyl)-1H-indole | CHEMBL124...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1ccc2ccccc12 Show InChI InChI=1S/C15H13NO2S/c1-19(17,18)14-8-6-13(7-9-14)16-11-10-12-4-2-3-5-15(12)16/h2-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of cerebral human recombinant AchE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins measured...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50462863 (CHEMBL4247064) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(c2c1)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO4S/c1-11-17(25(3,22)23)15-10-14(24-2)8-9-16(15)20(11)18(21)12-4-6-13(19)7-5-12/h4-10H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359396 (CHEMBL1929420 | US8999994, 5) Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate ...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50326534 (CHEMBL1240537 | furan-3-yl(4-(methylsulfonyl)pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccoc1 Show InChI InChI=1S/C12H10O4S/c1-17(14,15)11-4-2-9(3-5-11)12(13)10-6-7-16-8-10/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50462863 (CHEMBL4247064) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(c2c1)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO4S/c1-11-17(25(3,22)23)15-10-14(24-2)8-9-16(15)20(11)18(21)12-4-6-13(19)7-5-12/h4-10H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 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	900	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50359395 (CHEMBL1929422) Show SMILES CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50326527 ((4-bromophenyl)(4-(methylsulfonyl)phenyl)methanone...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C14H11BrO3S/c1-19(17,18)13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition b...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50326525 (2-(4-(methylsulfonyl)phenyl)pyridine | CHEMBL12409...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C12H11NO2S/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50462861 (CHEMBL4248484) Show SMILES CN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C14H13NO2S2/c1-15-11-5-3-4-6-13(11)18-14-8-7-10(9-12(14)15)19(2,16)17/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r| Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50359391 (CHEMBL1929421) Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by...				J Med Chem 54: 8251-70 (2011) Article DOI: 10.1021/jm200853t BindingDB Entry DOI: 10.7270/Q20P10G5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50462861 (CHEMBL4248484) Show SMILES CN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C14H13NO2S2/c1-15-11-5-3-4-6-13(11)18-14-8-7-10(9-12(14)15)19(2,16)17/h3-9H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay				Bioorg Med Chem 26: 4113-4126 (2018) Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F
					More data for this Ligand-Target Pair

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