null

SMILES: OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1

InChI Key: InChIKey=JTXXBIULLCCIBN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50069803   

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 (Homo sapiens (Human))	BDBM50069803 (CHEMBL3407587) Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50069803 (CHEMBL3407587) Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50069803 (CHEMBL3407587) Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50069803 (CHEMBL3407587) Show SMILES OCc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 Show InChI InChI=1S/C24H30N2O2/c27-18-22-15-21-16-23(8-9-24(21)25-22)28-14-4-7-19-10-12-26(13-11-19)17-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-16,19,25,27H,4,7,10-14,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins				J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3
					More data for this Ligand-Target Pair