BDBM36551 Chelator, M30::US9034303, M30

SMILES: CN(CC#C)Cc1ccc(O)c2ncccc12

InChI Key: InChIKey=FQFLPZZATVCNLA-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 36551   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	7.4	37
The Weizmann Institute of Science					Assay Description Inhibition of AChE and BChE activity in rat brain homogenates using Ellman's method.				ACS Chem Biol 5: 603-10 (2010) Article DOI: 10.1021/cb900264w BindingDB Entry DOI: 10.7270/Q2959FX1
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	7.4	37
The Weizmann Institute of Science					Assay Description Inhibition of MAO activity in rat brain homogenates.				ACS Chem Biol 5: 603-10 (2010) Article DOI: 10.1021/cb900264w BindingDB Entry DOI: 10.7270/Q2959FX1
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description MAO-A and MAO-B activity was measured using radioactive substrates. The substrate for MAO-A was 5 HT and for MAO-B was PEA. When measuring the activi...				US Patent US9034303 (2015) BindingDB Entry DOI: 10.7270/Q20Z722N
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description MAO-A and MAO-B activity was measured using radioactive substrates. The substrate for MAO-A was 5 HT and for MAO-B was PEA. When measuring the activi...				US Patent US9034303 (2015) BindingDB Entry DOI: 10.7270/Q20Z722N
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Irreversible inhibition of MAOB (unknown origin)				Eur J Med Chem 176: 228-247 (2019) Article DOI: 10.1016/j.ejmech.2019.05.020
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Irreversible inhibition of BACE-1 (unknown origin)				Eur J Med Chem 176: 228-247 (2019) Article DOI: 10.1016/j.ejmech.2019.05.020
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed type inhibition of MAOA (unknown origin)				Eur J Med Chem 176: 228-247 (2019) Article DOI: 10.1016/j.ejmech.2019.05.020
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed type inhibition of MAOB (unknown origin)				Eur J Med Chem 176: 228-247 (2019) Article DOI: 10.1016/j.ejmech.2019.05.020
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Irreversible inhibition of MAOA (unknown origin)				Eur J Med Chem 176: 228-247 (2019) Article DOI: 10.1016/j.ejmech.2019.05.020
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Irreversible inhibition of AChE (unknown origin)				Eur J Med Chem 176: 228-247 (2019) Article DOI: 10.1016/j.ejmech.2019.05.020
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM36551 (Chelator, M30 | US9034303, M30) Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12 Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...				Eur J Med Chem 80: 543-61 (2014) Article DOI: 10.1016/j.ejmech.2014.04.078 BindingDB Entry DOI: 10.7270/Q2BK1DWK
					More data for this Ligand-Target Pair