Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'perez' and Initial = 'v'   

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] A (Rattus norvegicus (rat))	BDBM50087809 (CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...) Show SMILES CN(CC#C)Cc1cc2ccccc2n1C Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087800 ((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...) Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087796 ((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...) Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1 Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087791 (But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...) Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1 Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087801 ((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...) Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1 Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087809 (CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...) Show SMILES CN(CC#C)Cc1cc2ccccc2n1C Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087803 (1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...) Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087796 ((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...) Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1 Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087794 (But-2-ynyl-methyl-(1-methyl-1H-indol-2-ylmethyl)-a...) Show SMILES CC#CCN(C)Cc1cc2ccccc2n1C Show InChI InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h6-9,11H,10,12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087790 (2-[(But-2-ynyl-methyl-amino)-methyl]-1-methyl-1H-i...) Show SMILES CC#CCN(C)Cc1cc2cc(O)ccc2n1C Show InChI InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087807 ((5-Benzyloxy-1H-indol-2-ylmethyl)-but-2-ynyl-amine...) Show SMILES CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C20H20N2O/c1-2-3-11-21-14-18-12-17-13-19(9-10-20(17)22-18)23-15-16-7-5-4-6-8-16/h4-10,12-13,21-22H,11,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087801 ((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...) Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1 Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087794 (But-2-ynyl-methyl-(1-methyl-1H-indol-2-ylmethyl)-a...) Show SMILES CC#CCN(C)Cc1cc2ccccc2n1C Show InChI InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h6-9,11H,10,12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087804 ((1-Methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-amine |...) Show SMILES Cn1c(CNCC#C)cc2ccccc12 Show InChI InChI=1S/C13H14N2/c1-3-8-14-10-12-9-11-6-4-5-7-13(11)15(12)2/h1,4-7,9,14H,8,10H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087791 (But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...) Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1 Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087800 ((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...) Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087803 (1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...) Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087804 ((1-Methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-amine |...) Show SMILES Cn1c(CNCC#C)cc2ccccc12 Show InChI InChI=1S/C13H14N2/c1-3-8-14-10-12-9-11-6-4-5-7-13(11)15(12)2/h1,4-7,9,14H,8,10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087795 (1-Methyl-2-prop-2-ynylaminomethyl-1H-indol-5-ol (F...) Show SMILES Cn1c(CNCC#C)cc2cc(O)ccc12 Show InChI InChI=1S/C13H14N2O/c1-3-6-14-9-11-7-10-8-12(16)4-5-13(10)15(11)2/h1,4-5,7-8,14,16H,6,9H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087807 ((5-Benzyloxy-1H-indol-2-ylmethyl)-but-2-ynyl-amine...) Show SMILES CC#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C20H20N2O/c1-2-3-11-21-14-18-12-17-13-19(9-10-20(17)22-18)23-15-16-7-5-4-6-8-16/h4-10,12-13,21-22H,11,14-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087790 (2-[(But-2-ynyl-methyl-amino)-methyl]-1-methyl-1H-i...) Show SMILES CC#CCN(C)Cc1cc2cc(O)ccc2n1C Show InChI InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087795 (1-Methyl-2-prop-2-ynylaminomethyl-1H-indol-5-ol (F...) Show SMILES Cn1c(CNCC#C)cc2cc(O)ccc12 Show InChI InChI=1S/C13H14N2O/c1-3-6-14-9-11-7-10-8-12(16)4-5-13(10)15(11)2/h1,4-5,7-8,14,16H,6,9H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087802 (Benzyl-(1-methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-...) Show SMILES Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12 Show InChI InChI=1S/C20H20N2/c1-3-13-22(15-17-9-5-4-6-10-17)16-19-14-18-11-7-8-12-20(18)21(19)2/h1,4-12,14H,13,15-16H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087808 (Benzyl-(1-methyl-1H-indol-2-ylmethyl)-amine (FA25)...) Show SMILES Cn1c(CNCc2ccccc2)cc2ccccc12 Show InChI InChI=1S/C17H18N2/c1-19-16(11-15-9-5-6-10-17(15)19)13-18-12-14-7-3-2-4-8-14/h2-11,18H,12-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087808 (Benzyl-(1-methyl-1H-indol-2-ylmethyl)-amine (FA25)...) Show SMILES Cn1c(CNCc2ccccc2)cc2ccccc12 Show InChI InChI=1S/C17H18N2/c1-19-16(11-15-9-5-6-10-17(15)19)13-18-12-14-7-3-2-4-8-14/h2-11,18H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087797 (Benzyl-but-2-ynyl-(1-methyl-1H-indol-2-ylmethyl)-a...) Show SMILES CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1 Show InChI InChI=1S/C21H22N2/c1-3-4-14-23(16-18-10-6-5-7-11-18)17-20-15-19-12-8-9-13-21(19)22(20)2/h5-13,15H,14,16-17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087802 (Benzyl-(1-methyl-1H-indol-2-ylmethyl)-prop-2-ynyl-...) Show SMILES Cn1c(CN(CC#C)Cc2ccccc2)cc2ccccc12 Show InChI InChI=1S/C20H20N2/c1-3-13-22(15-17-9-5-4-6-10-17)16-19-14-18-11-7-8-12-20(18)21(19)2/h1,4-12,14H,13,15-16H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087789 (Benzyl-(1H-indol-2-ylmethyl)-amine (FA4) | CHEMBL4...) Show SMILES C(NCc1ccccc1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H16N2/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-10,17-18H,11-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087806 ((1-Benzyl-1H-indol-3-ylmethyl)-isopropyl-amine | C...) Show SMILES CC(C)NCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H22N2/c1-15(2)20-12-17-14-21(13-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087789 (Benzyl-(1H-indol-2-ylmethyl)-amine (FA4) | CHEMBL4...) Show SMILES C(NCc1ccccc1)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H16N2/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-10,17-18H,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.59E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087805 ((1-Benzyl-1H-indol-3-ylmethyl)-methyl-prop-2-ynyl-...) Show SMILES CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H20N2/c1-3-13-21(2)15-18-16-22(14-17-9-5-4-6-10-17)20-12-8-7-11-19(18)20/h1,4-12,16H,13-15H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087792 ((1-Benzyl-1H-indol-3-ylmethyl)-methyl-amine | CHEM...) Show SMILES CNCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C17H18N2/c1-18-11-15-13-19(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13,18H,11-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087799 (Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-amine (FA207...) Show SMILES C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C23H22N2/c1-3-9-19(10-4-1)15-24-16-21-18-25(17-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,18,24H,15-17H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087798 (Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-prop-2-ynyl-...) Show SMILES C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C26H24N2/c1-2-17-27(18-22-11-5-3-6-12-22)20-24-21-28(19-23-13-7-4-8-14-23)26-16-10-9-15-25(24)26/h1,3-16,21H,17-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087793 ((1-Benzyl-1H-indol-3-ylmethyl)-ethyl-amine | CHEMB...) Show SMILES CCNCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C18H20N2/c1-2-19-12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-11,14,19H,2,12-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.62E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087792 ((1-Benzyl-1H-indol-3-ylmethyl)-methyl-amine | CHEM...) Show SMILES CNCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C17H18N2/c1-18-11-15-13-19(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13,18H,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087799 (Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-amine (FA207...) Show SMILES C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C23H22N2/c1-3-9-19(10-4-1)15-24-16-21-18-25(17-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,18,24H,15-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.62E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087793 ((1-Benzyl-1H-indol-3-ylmethyl)-ethyl-amine | CHEMB...) Show SMILES CCNCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C18H20N2/c1-2-19-12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-11,14,19H,2,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087806 ((1-Benzyl-1H-indol-3-ylmethyl)-isopropyl-amine | C...) Show SMILES CC(C)NCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H22N2/c1-15(2)20-12-17-14-21(13-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50087805 ((1-Benzyl-1H-indol-3-ylmethyl)-methyl-prop-2-ynyl-...) Show SMILES CN(CC#C)Cc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H20N2/c1-3-13-21(2)15-18-16-22(14-17-9-5-4-6-10-17)20-12-8-7-11-19(18)20/h1,4-12,16H,13-15H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.76E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase B				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087797 (Benzyl-but-2-ynyl-(1-methyl-1H-indol-2-ylmethyl)-a...) Show SMILES CC#CCN(Cc1cc2ccccc2n1C)Cc1ccccc1 Show InChI InChI=1S/C21H22N2/c1-3-4-14-23(16-18-10-6-5-7-11-18)17-20-15-19-12-8-9-13-21(19)22(20)2/h5-13,15H,14,16-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50087798 (Benzyl-(1-benzyl-1H-indol-3-ylmethyl)-prop-2-ynyl-...) Show SMILES C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C26H24N2/c1-2-17-27(18-22-11-5-3-6-12-22)20-24-21-28(19-23-13-7-4-8-14-23)26-16-10-9-15-25(24)26/h1,3-16,21H,17-20H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase A				J Med Chem 43: 1684-91 (2000) BindingDB Entry DOI: 10.7270/Q2C53K38
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50271142 (6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...) Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by U...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50277655 (CHEMBL4166300) Show SMILES COc1cc2C\C(=C/C3CCN(Cc4cc(N)c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H29N3O3/c1-32-25-13-18-12-19(27(31)22(18)15-26(25)33-2)11-17-7-9-30(10-8-17)16-20-14-23(28)21-5-3-4-6-24(21)29-20/h3-6,11,13-15,17H,7-10,12,16H2,1-2H3,(H2,28,29)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by U...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					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	40	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 m...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	230	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by U...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50277652 (CHEMBL4174269) Show SMILES COc1cc2CC(CC3CCN(Cc4cc(N)c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H31N3O3/c1-32-25-13-18-12-19(27(31)22(18)15-26(25)33-2)11-17-7-9-30(10-8-17)16-20-14-23(28)21-5-3-4-6-24(21)29-20/h3-6,13-15,17,19H,7-12,16H2,1-2H3,(H2,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50277655 (CHEMBL4166300) Show SMILES COc1cc2C\C(=C/C3CCN(Cc4cc(N)c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H29N3O3/c1-32-25-13-18-12-19(27(31)22(18)15-26(25)33-2)11-17-7-9-30(10-8-17)16-20-14-23(28)21-5-3-4-6-24(21)29-20/h3-6,11,13-15,17H,7-10,12,16H2,1-2H3,(H2,28,29)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50277650 (CHEMBL4172587) Show SMILES COc1cc2C\C(=C/C3CCN(Cc4cc(N=[N+]=[N-])c5ccccc5n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C27H27N5O3/c1-34-25-13-18-12-19(27(33)22(18)15-26(25)35-2)11-17-7-9-32(10-8-17)16-20-14-24(30-31-28)21-5-3-4-6-23(21)29-20/h3-6,11,13-15,17H,7-10,12,16H2,1-2H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by U...				Eur J Med Chem 139: 773-791 (2017) Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 63 total )  |  Next  |  Last  >>

Jump to: