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SMILES: CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1

InChI Key: InChIKey=LDQMGOJCUMEESA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50533196   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50533196 (CHEMBL3747900) Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...				Bioorg Med Chem Lett 26: 4140-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.054
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50533196 (CHEMBL3747900) Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...				Bioorg Med Chem Lett 26: 4140-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.054
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50533196 (CHEMBL3747900) Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 5 mins followed by substrate addition measured after ...				Bioorg Med Chem Lett 26: 4140-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.054
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50533196 (CHEMBL3747900) Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Bioorg Med Chem Lett 26: 4140-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.054
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50533196 (CHEMBL3747900) Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Bioorg Med Chem Lett 26: 4140-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.054
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50533196 (CHEMBL3747900) Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 5 mins followed by substrate addition measured after ...				Bioorg Med Chem Lett 26: 4140-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.054
					More data for this Ligand-Target Pair