Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50027862   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50265993 (CHEMBL451230 | phenyl 4-(4,5-dihydro-1H-imidazol-2...) Show SMILES O=C(Oc1ccccc1)c1ccc(cc1)C1=NCCN1 |t:17| Show InChI InChI=1S/C16H14N2O2/c19-16(20-14-4-2-1-3-5-14)13-8-6-12(7-9-13)15-17-10-11-18-15/h1-9H,10-11H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240366 (2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole | 2-N...) Show SMILES C1CN=C(N1)c1ccc2ccccc2c1 |c:2| Show InChI InChI=1S/C13H12N2/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13/h1-6,9H,7-8H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50086502 (2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...) Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2| Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50266030 (2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole | ...) Show SMILES Clc1ccc(C2=NCCN2)c(Cl)c1 |t:5| Show InChI InChI=1S/C9H8Cl2N2/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5H,3-4H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240365 (2-(4,5-Dihydro-1H-imidazol-2-yl)-quinoline | 2-(4,...) Show SMILES C1CN=C(N1)c1ccc2ccccc2n1 |c:2| Show InChI InChI=1S/C12H11N3/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12/h1-6H,7-8H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50266028 (2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole | CHEM...) Show SMILES Clc1ccc(cc1)C1=NCCN1 |t:8| Show InChI InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240362 (2-p-tolyl-4,5-dihydro-1H-imidazole | CHEMBL269197) Show SMILES Cc1ccc(cc1)C1=NCCN1 |t:8| Show InChI InChI=1S/C10H12N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50266032 (2-(3-nitrophenyl)-4,5-dihydro-1H-imidazole | CHEMB...) Show SMILES [O-][N+](=O)c1cccc(c1)C1=NCCN1 |t:10| Show InChI InChI=1S/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240363 (2-Phenyl-4,5-dihydro-1H-imidazole | CHEMBL274548) Show SMILES C1CN=C(N1)c1ccccc1 |c:2| Show InChI InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50266029 (2-(2-chlorophenyl)-4,5-dihydro-1H-imidazole | CHEM...) Show SMILES Clc1ccccc1C1=NCCN1 |t:8| Show InChI InChI=1S/C9H9ClN2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240368 (2-(4,5-Dihydro-1H-imidazol-2-yl)-pyridine | 2-(4,5...) Show SMILES C1CN=C(N1)c1ccccn1 |c:2| Show InChI InChI=1S/C8H9N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4H,5-6H2,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240364 (2-(4-Methoxy-phenyl)-4,5-dihydro-1H-imidazole | 2-...) Show SMILES COc1ccc(cc1)C1=NCCN1 |t:9| Show InChI InChI=1S/C10H12N2O/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50265992 (2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazol...) Show SMILES COc1cc(cc(OC)c1OC)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H16N2O3/c1-15-9-6-8(12-13-4-5-14-12)7-10(16-2)11(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50266031 (2-(4-nitrophenyl)-4,5-dihydro-1H-imidazole | CHEMB...) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NCCN1 |t:10| Show InChI InChI=1S/C9H9N3O2/c13-12(14)8-3-1-7(2-4-8)9-10-5-6-11-9/h1-4H,5-6H2,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50265991 (2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole |...) Show SMILES COc1ccc(cc1OC)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H14N2O2/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50138501 (2-(furan-2-yl)-4,5-dihydro-1H-imidazole | 2-Furan-...) Show SMILES C1CN=C(N1)c1ccco1 |c:2| Show InChI InChI=1S/C7H8N2O/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5H,3-4H2,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50086502 (2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...) Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2| Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50240365 (2-(4,5-Dihydro-1H-imidazol-2-yl)-quinoline | 2-(4,...) Show SMILES C1CN=C(N1)c1ccc2ccccc2n1 |c:2| Show InChI InChI=1S/C12H11N3/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12/h1-6H,7-8H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Maria Curated by ChEMBL					Assay Description Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometr...				Bioorg Med Chem Lett 19: 546-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.001 BindingDB Entry DOI: 10.7270/Q2251J2V
					More data for this Ligand-Target Pair