BDBM50373412 CHEMBL403616

SMILES: COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1

InChI Key: InChIKey=RBKMRYYKCJETLF-DZGCQCFKSA-N

Data: 3 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 3 hits for monomerid = 50373412   

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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50373412 (CHEMBL403616) Show SMILES COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 Show InChI InChI=1S/C15H22N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h3-4,8,11,13H,1,5-7,9-10,16H2,2H3/t13-,15+/m0/s1	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 Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 3230-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.045 BindingDB Entry DOI: 10.7270/Q2D21ZG8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50373412 (CHEMBL403616) Show SMILES COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 Show InChI InChI=1S/C15H22N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h3-4,8,11,13H,1,5-7,9-10,16H2,2H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of serotonin uptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 3230-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.045 BindingDB Entry DOI: 10.7270/Q2D21ZG8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373412 (CHEMBL403616) Show SMILES COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 Show InChI InChI=1S/C15H22N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h3-4,8,11,13H,1,5-7,9-10,16H2,2H3/t13-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 18: 3230-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.045 BindingDB Entry DOI: 10.7270/Q2D21ZG8
					More data for this Ligand-Target Pair