BDBM50381954 CHEMBL2022934

SMILES: Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N

InChI Key: InChIKey=UQPSZGFXWACLJE-UHFFFAOYSA-N

Data: 4 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 = 50381954   

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 (Rattus norvegicus (rat))	BDBM50381954 (CHEMBL2022934) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C20H22N6/c1-2-7-25-10-6-17-16(13-25)18(22)15-11-14(12-21)20(24-19(15)23-17)26-8-4-3-5-9-26/h1,11H,3-10,13H2,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50381954 (CHEMBL2022934) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C20H22N6/c1-2-7-25-10-6-17-16(13-25)18(22)15-11-14(12-21)20(24-19(15)23-17)26-8-4-3-5-9-26/h1,11H,3-10,13H2,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50381954 (CHEMBL2022934) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C20H22N6/c1-2-7-25-10-6-17-16(13-25)18(22)15-11-14(12-21)20(24-19(15)23-17)26-8-4-3-5-9-26/h1,11H,3-10,13H2,(H2,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50381954 (CHEMBL2022934) Show SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N Show InChI InChI=1S/C20H22N6/c1-2-7-25-10-6-17-16(13-25)18(22)15-11-14(12-21)20(24-19(15)23-17)26-8-4-3-5-9-26/h1,11H,3-10,13H2,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 52: 251-62 (2012) Article DOI: 10.1016/j.ejmech.2012.03.022 BindingDB Entry DOI: 10.7270/Q25H7H97
					More data for this Ligand-Target Pair