BDBM50046950 CHEMBL3319244

SMILES: Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl

InChI Key: InChIKey=IQCPUPDYBUPHRL-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 50046950   

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))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	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))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.586	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))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	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))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.586	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))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.589	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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50046950 (CHEMBL3319244) Show SMILES Clc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-2-10(6-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20)	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