BDBM50468677 CHEMBL4282527

SMILES: COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=SULOYNMFUTYGFY-UHFFFAOYSA-N

Data: 2 KI  5 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 = 50468677   

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
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	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 Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method				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
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	376	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 Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method				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))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.64E+4	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 MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe...				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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	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	450	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
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
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) A (Homo sapiens (Human))	BDBM50468677 (CHEMBL4282527) Show SMILES COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H29N3O3/c1-31-20-7-8-21-22(15-20)27-23(16-24(21)29)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.27E+4	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 MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe...				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