BDBM50381961 CHEMBL2022928

SMILES: CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1

InChI Key: InChIKey=SBFMJJXBXQCQMQ-UHFFFAOYSA-N

Data: 1 KI  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 5 hits for monomerid = 50381961   

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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	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 Competitive inhibition of equine serum BChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis				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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50381961 (CHEMBL2022928) Show SMILES CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C21H22N2O/c1-3-4-12-23(2)15-19-13-18-14-20(10-11-21(18)22-19)24-16-17-8-6-5-7-9-17/h5-11,13-14,22H,12,15-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 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