Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'fagervall' and Initial = 'i'   

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/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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT (serotonin)				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224952 (CHEMBL441014) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC=C=C Show InChI InChI=1S/C14H17Cl2NO/c1-3-4-8-17(2)9-5-10-18-14-7-6-12(15)11-13(14)16/h4,6-7,11H,1,5,8-10H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224950 (CHEMBL8877) Show SMILES NCC(Cc1ccc(Cl)cc1)=C=C Show InChI InChI=1S/C11H12ClN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6H,1,7-8,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025079 (CHEMBL30344 | [4-(2-Amino-propyl)-3-methyl-phenyl]...) Show SMILES CC(N)Cc1ccc(cc1C)N(C)C Show InChI InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224947 (CHEMBL8848) Show SMILES NCC(Cc1ccccc1)=C=C Show InChI InChI=1S/C11H13N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7H,1,8-9,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224967 (CHEMBL275108) Show SMILES C=C=CCNCc1ccccc1 Show InChI InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224970 (CHEMBL8695) Show SMILES CN(CC=C=C)Cc1ccccc1 Show InChI InChI=1S/C12H15N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025082 (2-(4-Chloro-2,3-dihydro-1H-indol-5-yl)-1-methyl-et...) Show SMILES CC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C11H15ClN2/c1-7(13)6-8-2-3-10-9(11(8)12)4-5-14-10/h2-3,7,14H,4-6,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224948 (CHEMBL8712) Show SMILES NCC(=C=C)c1ccccc1 Show InChI InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7H,1,8,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224950 (CHEMBL8877) Show SMILES NCC(Cc1ccc(Cl)cc1)=C=C Show InChI InChI=1S/C11H12ClN/c1-2-9(8-13)7-10-3-5-11(12)6-4-10/h3-6H,1,7-8,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025080 (1-(4-Chloro-2,3-dihydro-1H-indol-5-ylmethyl)-propy...) Show SMILES CCC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C12H17ClN2/c1-2-9(14)7-8-3-4-11-10(12(8)13)5-6-15-11/h3-4,9,15H,2,5-7,14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025082 (2-(4-Chloro-2,3-dihydro-1H-indol-5-yl)-1-methyl-et...) Show SMILES CC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C11H15ClN2/c1-7(13)6-8-2-3-10-9(11(8)12)4-5-14-10/h2-3,7,14H,4-6,13H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025084 (2-(1-Ethyl-6-methyl-2,3-dihydro-1H-indol-5-yl)-1-m...) Show SMILES CCN1CCc2cc(CC(C)N)c(C)cc12 Show InChI InChI=1S/C14H22N2/c1-4-16-6-5-12-9-13(8-11(3)15)10(2)7-14(12)16/h7,9,11H,4-6,8,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025082 (2-(4-Chloro-2,3-dihydro-1H-indol-5-yl)-1-methyl-et...) Show SMILES CC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C11H15ClN2/c1-7(13)6-8-2-3-10-9(11(8)12)4-5-14-10/h2-3,7,14H,4-6,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025081 (2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine ...) Show SMILES CC(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C11H16N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-3,7-8,13H,4-6,12H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224965 (CHEMBL268167) Show SMILES Cc1ccc(CC(CN)=C=C)cc1 Show InChI InChI=1S/C12H15N/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h4-7H,1,8-9,13H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224966 (CHEMBL8467) Show SMILES CN(CC=C=C)C1CCc2ccccc12 Show InChI InChI=1S/C14H17N/c1-3-4-11-15(2)14-10-9-12-7-5-6-8-13(12)14/h4-8,14H,1,9-11H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025086 (1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-et...) Show SMILES CC(N)Cc1ccc2NCCc2c1C Show InChI InChI=1S/C12H18N2/c1-8(13)7-10-3-4-12-11(9(10)2)5-6-14-12/h3-4,8,14H,5-7,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224953 (CHEMBL9068) Show SMILES CNCC(Cc1ccccc1)=C=C Show InChI InChI=1S/C12H15N/c1-3-11(10-13-2)9-12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025077 (1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine | ...) Show SMILES CCC(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C12H18N2/c1-2-11(13)8-9-3-4-12-10(7-9)5-6-14-12/h3-4,7,11,14H,2,5-6,8,13H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224971 (CHEMBL8974) Show SMILES COc1ccc(CC(CN)=C=C)cc1 Show InChI InChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025080 (1-(4-Chloro-2,3-dihydro-1H-indol-5-ylmethyl)-propy...) Show SMILES CCC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C12H17ClN2/c1-2-9(14)7-8-3-4-11-10(12(8)13)5-6-15-11/h3-4,9,15H,2,5-7,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025079 (CHEMBL30344 | [4-(2-Amino-propyl)-3-methyl-phenyl]...) Show SMILES CC(N)Cc1ccc(cc1C)N(C)C Show InChI InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA (phenethylamine)				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224971 (CHEMBL8974) Show SMILES COc1ccc(CC(CN)=C=C)cc1 Show InChI InChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025086 (1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-et...) Show SMILES CC(N)Cc1ccc2NCCc2c1C Show InChI InChI=1S/C12H18N2/c1-8(13)7-10-3-4-12-11(9(10)2)5-6-14-12/h3-4,8,14H,5-7,13H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025086 (1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-et...) Show SMILES CC(N)Cc1ccc2NCCc2c1C Show InChI InChI=1S/C12H18N2/c1-8(13)7-10-3-4-12-11(9(10)2)5-6-14-12/h3-4,8,14H,5-7,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224951 (CHEMBL269593) Show SMILES CC(Cc1ccccc1)N(C)CC=C=C Show InChI InChI=1S/C14H19N/c1-4-5-11-15(3)13(2)12-14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025079 (CHEMBL30344 | [4-(2-Amino-propyl)-3-methyl-phenyl]...) Show SMILES CC(N)Cc1ccc(cc1C)N(C)C Show InChI InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025085 (2-(1-Ethyl-4-methyl-2,3-dihydro-1H-indol-5-yl)-1-m...) Show SMILES CCN1CCc2c1ccc(CC(C)N)c2C Show InChI InChI=1S/C14H22N2/c1-4-16-8-7-13-11(3)12(9-10(2)15)5-6-14(13)16/h5-6,10H,4,7-9,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224965 (CHEMBL268167) Show SMILES Cc1ccc(CC(CN)=C=C)cc1 Show InChI InChI=1S/C12H15N/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h4-7H,1,8-9,13H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025080 (1-(4-Chloro-2,3-dihydro-1H-indol-5-ylmethyl)-propy...) Show SMILES CCC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C12H17ClN2/c1-2-9(14)7-8-3-4-11-10(12(8)13)5-6-15-11/h3-4,9,15H,2,5-7,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]phenylethylamine as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025085 (2-(1-Ethyl-4-methyl-2,3-dihydro-1H-indol-5-yl)-1-m...) Show SMILES CCN1CCc2c1ccc(CC(C)N)c2C Show InChI InChI=1S/C14H22N2/c1-4-16-8-7-13-11(3)12(9-10(2)15)5-6-14(13)16/h5-6,10H,4,7-9,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025080 (1-(4-Chloro-2,3-dihydro-1H-indol-5-ylmethyl)-propy...) Show SMILES CCC(N)Cc1ccc2NCCc2c1Cl Show InChI InChI=1S/C12H17ClN2/c1-2-9(14)7-8-3-4-11-10(12(8)13)5-6-15-11/h3-4,9,15H,2,5-7,14H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025081 (2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine ...) Show SMILES CC(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C11H16N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-3,7-8,13H,4-6,12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224966 (CHEMBL8467) Show SMILES CN(CC=C=C)C1CCc2ccccc12 Show InChI InChI=1S/C14H17N/c1-3-4-11-15(2)14-10-9-12-7-5-6-8-13(12)14/h4-8,14H,1,9-11H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224967 (CHEMBL275108) Show SMILES C=C=CCNCc1ccccc1 Show InChI InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025083 (2-(2,3-Dihydro-1H-indol-5-yl)-1,1-dimethyl-ethylam...) Show SMILES CC(C)(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C12H18N2/c1-12(2,13)8-9-3-4-11-10(7-9)5-6-14-11/h3-4,7,14H,5-6,8,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025084 (2-(1-Ethyl-6-methyl-2,3-dihydro-1H-indol-5-yl)-1-m...) Show SMILES CCN1CCc2cc(CC(C)N)c(C)cc12 Show InChI InChI=1S/C14H22N2/c1-4-16-6-5-12-9-13(8-11(3)15)10(2)7-14(12)16/h7,9,11H,4-6,8,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50452531 (CHEMBL2028089) Show SMILES OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)| Show InChI InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50452531 (CHEMBL2028089) Show SMILES OC(=O)C(O)=O.CC=C=CCN(C)Cc1ccccc1 |(21.28,-8.31,;19.74,-8.31,;18.97,-6.98,;18.97,-9.64,;17.43,-9.64,;19.74,-10.98,;19.44,-4.47,;18.11,-3.7,;16.61,-4.07,;15.12,-4.46,;13.79,-3.65,;12.45,-4.41,;11.12,-3.62,;12.42,-5.95,;11.08,-6.7,;9.76,-5.91,;8.41,-6.66,;8.39,-8.2,;9.72,-8.99,;11.05,-8.23,)| Show InChI InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025084 (2-(1-Ethyl-6-methyl-2,3-dihydro-1H-indol-5-yl)-1-m...) Show SMILES CCN1CCc2cc(CC(C)N)c(C)cc12 Show InChI InChI=1S/C14H22N2/c1-4-16-6-5-12-9-13(8-11(3)15)10(2)7-14(12)16/h7,9,11H,4-6,8,15H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025083 (2-(2,3-Dihydro-1H-indol-5-yl)-1,1-dimethyl-ethylam...) Show SMILES CC(C)(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C12H18N2/c1-12(2,13)8-9-3-4-11-10(7-9)5-6-14-11/h3-4,7,14H,5-6,8,13H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of NE uptake at NE uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50025083 (2-(2,3-Dihydro-1H-indol-5-yl)-1,1-dimethyl-ethylam...) Show SMILES CC(C)(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C12H18N2/c1-12(2,13)8-9-3-4-11-10(7-9)5-6-14-11/h3-4,7,14H,5-6,8,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50025077 (1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine | ...) Show SMILES CCC(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C12H18N2/c1-2-11(13)8-9-3-4-12-10(7-9)5-6-14-12/h3-4,7,11,14H,2,5-6,8,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50025081 (2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine ...) Show SMILES CC(N)Cc1ccc2NCCc2c1 Show InChI InChI=1S/C11H16N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-3,7-8,13H,4-6,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vivo inhibition of DA uptake at dopamine uptake site				J Med Chem 29: 1406-12 (1986) BindingDB Entry DOI: 10.7270/Q29022S9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224946 (CHEMBL8534) Show SMILES C=C=CCN1CCc2ccccc2C1 Show InChI InChI=1S/C13H15N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h3-7H,1,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A/B (Rattus norvegicus (rat))	BDBM50224952 (CHEMBL441014) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC=C=C Show InChI InChI=1S/C14H17Cl2NO/c1-3-4-8-17(2)9-5-10-18-14-7-6-12(15)11-13(14)16/h4,6-7,11H,1,5,8-10H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.				J Med Chem 26: 1036-42 (1983) BindingDB Entry DOI: 10.7270/Q2K076FV
					More data for this Ligand-Target Pair

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