BDBM153655 US8999994, 7

SMILES: ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C

InChI Key: InChIKey=WXSKKWKEVGGMMV-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 = 153655   

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 (Electrophorus electricus (Electric eel))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	8.0	n/a
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.77E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	990	n/a	n/a	n/a	n/a	8.0	n/a
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair