Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'ojima' 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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM85786 (KUR-1246) Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1 Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	25.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 666-71 (2001) BindingDB Entry DOI: 10.7270/Q2D798Z1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Reversible inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM85786 (KUR-1246) Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1 Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 666-71 (2001) BindingDB Entry DOI: 10.7270/Q2D798Z1
					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
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282377 (2-Butyl-7-methyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2c(C)cnc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282379 (2-Propyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCCc1cn2ncc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7O2/c1-2-5-17-14-30-22(20(12-24-30)23(31)32)29(17)13-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-4,6-12,14H,2,5,13H2,1H3,(H,31,32)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282373 (2-Butyl-7-methyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc2c(C)cncc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H25N7/c1-3-4-9-23-27-24-17(2)14-26-15-22(24)32(23)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)25-28-30-31-29-25/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50240609 (2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282374 (2-Ethoxy-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H20N6O/c1-2-30-23-24-20-9-5-6-10-21(20)29(23)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)22-25-27-28-26-22/h3-14H,2,15H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282376 (2-Ethylsulfanyl-4-methyl-1-[2'-(1H-tetrazol-5-yl)-...) Show SMILES CCSc1nc2c(C)sc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H20N6O2S2/c1-3-32-23-24-18-13(2)33-20(22(30)31)19(18)29(23)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-11H,3,12H2,1-2H3,(H,30,31)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate preincubated for 240 mins				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate preincubated for 240 mins				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282378 (2-Ethylsulfanyl-4-methyl-1-[2'-(1H-tetrazol-5-yl)-...) Show SMILES CCSc1nc2c(C)scc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H20N6S2/c1-3-29-22-23-20-14(2)30-13-19(20)28(22)12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)21-24-26-27-25-21/h4-11,13H,3,12H2,1-2H3,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB UniProtKB/SwissProt 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
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate preincubated for 60 mins				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018672 (CHEMBL3291020) Show SMILES Oc1ccc(CN(CCCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-25-12-13-27(32)28-26(25)11-6-16-29-28)18-7-10-23-14-19-31(20-15-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-13,16,23,32H,7,10,14-15,17-22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate preincubated for 60 mins				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50282375 (2-Propyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCCc1cn2nccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21N7/c1-2-5-18-15-29-21(12-13-23-29)28(18)14-16-8-10-17(11-9-16)19-6-3-4-7-20(19)22-24-26-27-25-22/h3-4,6-13,15H,2,5,14H2,1H3,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex				Bioorg Med Chem Lett 4: 35-40 (1994) Article DOI: 10.1016/S0960-894X(01)81118-5 BindingDB Entry DOI: 10.7270/Q21Z44CP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate preincubated for 30 mins				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018672 (CHEMBL3291020) Show SMILES Oc1ccc(CN(CCCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-25-12-13-27(32)28-26(25)11-6-16-29-28)18-7-10-23-14-19-31(20-15-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-13,16,23,32H,7,10,14-15,17-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018673 (CHEMBL3291018) Show SMILES Oc1ccc(CN(CCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C27H31N3O/c1-2-16-29(21-24-10-11-26(31)27-25(24)9-6-15-28-27)17-12-22-13-18-30(19-14-22)20-23-7-4-3-5-8-23/h1,3-11,15,22,31H,12-14,16-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate preincubated for 30 mins				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018674 (CHEMBL3291017) Show SMILES Oc1ccc(CN(CC#C)C(CC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C28H30N4O/c1-2-15-32(21-24-10-11-27(33)28-26(24)9-6-14-30-28)25(19-29)18-22-12-16-31(17-13-22)20-23-7-4-3-5-8-23/h1,3-11,14,22,25,33H,12-13,15-18,20-21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018675 (CHEMBL3291016) Show SMILES Oc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C26H29N3O/c1-2-15-29(20-23-10-11-25(30)26-24(23)9-6-14-27-26)19-22-12-16-28(17-13-22)18-21-7-4-3-5-8-21/h1,3-11,14,22,30H,12-13,15-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018676 (CHEMBL3291015) Show SMILES Oc1ccc(CN(CC#C)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C27H28N4O/c1-2-15-31(20-23-10-11-26(32)27-24(23)9-6-14-29-27)25(18-28)22-12-16-30(17-13-22)19-21-7-4-3-5-8-21/h1,3-11,14,22,25,32H,12-13,15-17,19-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018676 (CHEMBL3291015) Show SMILES Oc1ccc(CN(CC#C)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C27H28N4O/c1-2-15-31(20-23-10-11-26(32)27-24(23)9-6-14-29-27)25(18-28)22-12-16-30(17-13-22)19-21-7-4-3-5-8-21/h1,3-11,14,22,25,32H,12-13,15-17,19-20H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50018673 (CHEMBL3291018) Show SMILES Oc1ccc(CN(CCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C27H31N3O/c1-2-16-29(21-24-10-11-26(31)27-25(24)9-6-15-28-27)17-12-22-13-18-30(19-14-22)20-23-7-4-3-5-8-23/h1,3-11,15,22,31H,12-14,16-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50018675 (CHEMBL3291016) Show SMILES Oc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C26H29N3O/c1-2-15-29(20-23-10-11-25(30)26-24(23)9-6-14-27-26)19-22-12-16-28(17-13-22)18-21-7-4-3-5-8-21/h1,3-11,14,22,30H,12-13,15-20H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018675 (CHEMBL3291016) Show SMILES Oc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C26H29N3O/c1-2-15-29(20-23-10-11-25(30)26-24(23)9-6-14-27-26)19-22-12-16-28(17-13-22)18-21-7-4-3-5-8-21/h1,3-11,14,22,30H,12-13,15-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50009999 (CHEMBL461 | N-benzoylglycine) Show SMILES OC(=O)CNC(=O)c1ccccc1 Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Women's Medical University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT-expressing OK cells				Br J Pharmacol 135: 555-63 (2002) Article DOI: 10.1038/sj.bjp.0704482 BindingDB Entry DOI: 10.7270/Q21J9C29
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018676 (CHEMBL3291015) Show SMILES Oc1ccc(CN(CC#C)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C27H28N4O/c1-2-15-31(20-23-10-11-26(32)27-24(23)9-6-14-29-27)25(18-28)22-12-16-30(17-13-22)19-21-7-4-3-5-8-21/h1,3-11,14,22,25,32H,12-13,15-17,19-20H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50420239 (CHEMBL500596) Show SMILES OC(=O)CNC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Women's Medical University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing OK cells				Br J Pharmacol 135: 555-63 (2002) Article DOI: 10.1038/sj.bjp.0704482 BindingDB Entry DOI: 10.7270/Q21J9C29
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50328021 ((2-Hydroxy-benzoylamino)-acetic acid | 2-(2-hydrox...) Show SMILES OC(=O)CNC(=O)c1ccccc1O Show InChI InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Women's Medical University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT-expressing OK cells				Br J Pharmacol 135: 555-63 (2002) Article DOI: 10.1038/sj.bjp.0704482 BindingDB Entry DOI: 10.7270/Q21J9C29
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50018671 (CHEMBL3291019) Show SMILES Oc1ccc(CN(CC#C)C(CCC2CCN(Cc3ccccc3)CC2)C#N)c2cccnc12 Show InChI InChI=1S/C29H32N4O/c1-2-17-33(22-25-11-13-28(34)29-27(25)9-6-16-31-29)26(20-30)12-10-23-14-18-32(19-15-23)21-24-7-4-3-5-8-24/h1,3-9,11,13,16,23,26,34H,10,12,14-15,17-19,21-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018672 (CHEMBL3291020) Show SMILES Oc1ccc(CN(CCCC2CCN(Cc3ccccc3)CC2)CC#C)c2cccnc12 Show InChI InChI=1S/C28H33N3O/c1-2-17-30(22-25-12-13-27(32)28-26(25)11-6-16-29-28)18-7-10-23-14-19-31(20-15-23)21-24-8-4-3-5-9-24/h1,3-6,8-9,11-13,16,23,32H,7,10,14-15,17-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50018676 (CHEMBL3291015) Show SMILES Oc1ccc(CN(CC#C)C(C#N)C2CCN(Cc3ccccc3)CC2)c2cccnc12 Show InChI InChI=1S/C27H28N4O/c1-2-15-31(20-23-10-11-26(32)27-24(23)9-6-14-29-27)25(18-28)22-12-16-30(17-13-22)19-21-7-4-3-5-8-21/h1,3-11,14,22,25,32H,12-13,15-17,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 56 total )  |  Next  |  Last  >>

Jump to: