BDBM50468702 CHEMBL4286799

SMILES: O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1

InChI Key: InChIKey=ADKJHJNFROJLTD-UHFFFAOYSA-N

Data: 1 KI  3 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 7 hits for monomerid = 50468702   

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))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate pretreated for 5 mins followed by substrate addition and measured for 5 mins by...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50468702 (CHEMBL4286799) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C24H26N2O3/c27-21-16-23(29-22-9-5-4-8-20(21)22)24(28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase using arachidonic acid as substrate pretreated for 10 mins followed by substrate and ATP addition and measured aft...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair