BDBM50046866 CHEMBL3319256

SMILES: Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=OIDIFCINLNNUKU-UHFFFAOYSA-N

Data: 3 KI  13 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 16 hits for monomerid = 50046866   

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))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...				Eur J Med Chem 179: 404-422 (2019) Article DOI: 10.1016/j.ejmech.2019.06.041
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...				Eur J Med Chem 127: 470-492 (2017) BindingDB Entry DOI: 10.7270/Q2GH9M6P
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate by Dixon-...				Eur J Med Chem 179: 404-422 (2019) Article DOI: 10.1016/j.ejmech.2019.06.041
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate				J Med Chem 57: 6679-703 (2014) Article DOI: 10.1021/jm500729a BindingDB Entry DOI: 10.7270/Q2HT2R0D
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.389	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...				Eur J Med Chem 127: 470-492 (2017) BindingDB Entry DOI: 10.7270/Q2GH9M6P
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...				Eur J Med Chem 127: 470-492 (2017) BindingDB Entry DOI: 10.7270/Q2GH9M6P
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...				Eur J Med Chem 127: 470-492 (2017) BindingDB Entry DOI: 10.7270/Q2GH9M6P
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.386	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...				Eur J Med Chem 127: 470-492 (2017) BindingDB Entry DOI: 10.7270/Q2GH9M6P
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...				Eur J Med Chem 127: 470-492 (2017) BindingDB Entry DOI: 10.7270/Q2GH9M6P
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...				Eur J Med Chem 179: 404-422 (2019) Article DOI: 10.1016/j.ejmech.2019.06.041
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addit...				Eur J Med Chem 179: 404-422 (2019) Article DOI: 10.1016/j.ejmech.2019.06.041
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.389	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyr...				Eur J Med Chem 179: 404-422 (2019) Article DOI: 10.1016/j.ejmech.2019.06.041
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.386	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate				J Med Chem 57: 6679-703 (2014) Article DOI: 10.1021/jm500729a BindingDB Entry DOI: 10.7270/Q2HT2R0D
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
NTZ Lab Ltd. Curated by ChEMBL					Assay Description Inhibition of rat MAO-B				Eur J Med Chem 179: 404-422 (2019) Article DOI: 10.1016/j.ejmech.2019.06.041
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate				J Med Chem 57: 6679-703 (2014) Article DOI: 10.1021/jm500729a BindingDB Entry DOI: 10.7270/Q2HT2R0D
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50046866 (CHEMBL3319256) Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate				J Med Chem 57: 6679-703 (2014) Article DOI: 10.1021/jm500729a BindingDB Entry DOI: 10.7270/Q2HT2R0D
					More data for this Ligand-Target Pair