BindingDB PrimarySearch

BDBM50275773 CHEMBL469946::N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)-cyclopropanecarboxamide

SMILES: CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1

InChI Key: InChIKey=MGQRODBGBVCRHA-FZMZJTMJSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50275773
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
Transporter (Rattus norvegicus (rat))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch-clamp method				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50275773 (CHEMBL469946 \| N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
Neurocrine Biosciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair