BDBM50513572 CHEMBL4466571

SMILES: COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12

InChI Key: InChIKey=QXXYHQFDAVNRLV-KEBDBYFISA-N

Data: 1 KI  3 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 4 hits for monomerid = 50513572   

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))	BDBM50513572 (CHEMBL4466571) Show SMILES COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12 Show InChI InChI=1S/C17H15Cl2N3O/c1-23-7-6-22-17-5-2-12(8-13(17)11-21-22)10-20-14-3-4-15(18)16(19)9-14/h2-5,8-11H,6-7H2,1H3/b20-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	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))	BDBM50513572 (CHEMBL4466571) Show SMILES COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12 Show InChI InChI=1S/C17H15Cl2N3O/c1-23-7-6-22-17-5-2-12(8-13(17)11-21-22)10-20-14-3-4-15(18)16(19)9-14/h2-5,8-11H,6-7H2,1H3/b20-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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))	BDBM50513572 (CHEMBL4466571) Show SMILES COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12 Show InChI InChI=1S/C17H15Cl2N3O/c1-23-7-6-22-17-5-2-12(8-13(17)11-21-22)10-20-14-3-4-15(18)16(19)9-14/h2-5,8-11H,6-7H2,1H3/b20-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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) A (Homo sapiens (Human))	BDBM50513572 (CHEMBL4466571) Show SMILES COCCn1ncc2cc(\C=N\c3ccc(Cl)c(Cl)c3)ccc12 Show InChI InChI=1S/C17H15Cl2N3O/c1-23-7-6-22-17-5-2-12(8-13(17)11-21-22)10-20-14-3-4-15(18)16(19)9-14/h2-5,8-11H,6-7H2,1H3/b20-10+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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