BindingDB PrimarySearch

BDBM50244287 CHEMBL4085482

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCCCN2CCCCC2)C(=O)N(CC)CC)cc1

InChI Key: InChIKey=GBAQAKAXZOOHGW-UHFFFAOYSA-N

Data: 1 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50244287
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Tested for inhibition of the binding of [125I]NCQ298 to dopamine receptor D3				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	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	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using ATC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins b...				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ell...				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ell...				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50244287 (CHEMBL4085482) Show SMILES Show InChI	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	6.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Tested for binding affinity against human NK-1 receptor				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair