BDBM50350641 CHEMBL342357

SMILES: O=C1NC(=O)c2cc(OCc3ccccc3)ccc12

InChI Key: InChIKey=WPHMZNGQBMYTKD-UHFFFAOYSA-N

Data: 3 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50350641   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...				Bioorg Med Chem 19: 4829-40 (2011) Article DOI: 10.1016/j.bmc.2011.06.070 BindingDB Entry DOI: 10.7270/Q2H41RTW
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectrosco...				Bioorg Med Chem 19: 4829-40 (2011) Article DOI: 10.1016/j.bmc.2011.06.070 BindingDB Entry DOI: 10.7270/Q2H41RTW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate by fluorescence spectroscopy				Bioorg Med Chem 19: 4829-40 (2011) Article DOI: 10.1016/j.bmc.2011.06.070 BindingDB Entry DOI: 10.7270/Q2H41RTW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrop...				Bioorg Med Chem Lett 22: 6632-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.113 BindingDB Entry DOI: 10.7270/Q2RJ4KK4
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%				J Med Chem 43: 4747-58 (2000) BindingDB Entry DOI: 10.7270/Q20K29RT
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry				Bioorg Med Chem Lett 26: 1200-4 (2016) BindingDB Entry DOI: 10.7270/Q2154JWF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate by fluorescence spectroscopy				Bioorg Med Chem 19: 4829-40 (2011) Article DOI: 10.1016/j.bmc.2011.06.070 BindingDB Entry DOI: 10.7270/Q2H41RTW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry				Bioorg Med Chem Lett 26: 1200-4 (2016) BindingDB Entry DOI: 10.7270/Q2154JWF
					More data for this Ligand-Target Pair