BindingDB PrimarySearch

null

SMILES: O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50585443
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
Acetylcholinesterase (Mus musculus (mouse))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AChE assessed as inhibition constant using acetylthiocholine iodide as substrate measured every 2 mins by lineweaver-burk plot an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BuChE in mouse serum using butyrylthiocholine iodide as substrate incubated for 20 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at 5-HT1B receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO cells at -80 mV holding potential by automated patch clamp method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant AChE in human erythrocytes using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of norepinephrine transporter (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dopamine transporter (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in mouse cortical homogenate using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50585443 (CHEMBL5082250) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SERT (unknown origin) in HEK293 cells assessed as inhibition of 5-HT reuptake by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
TBA					More data for this Ligand-Target Pair