BDBM50373249 CHEMBL405613

SMILES: CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1

InChI Key: InChIKey=WYBWTBVGJJOVDM-KBXCAEBGSA-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 = 50373249   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50373249 (CHEMBL405613) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H23FN2O3/c1-3-21(11-12(2)19)17(22)18(9-14(18)10-20)13-4-5-15-16(8-13)24-7-6-23-15/h4-5,8,14H,2-3,6-7,9-11,20H2,1H3/t14-,18+/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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of human NET				Bioorg Med Chem Lett 18: 3328-32 (2008) Article DOI: 10.1016/j.bmcl.2008.04.025 BindingDB Entry DOI: 10.7270/Q21V5FTK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50373249 (CHEMBL405613) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H23FN2O3/c1-3-21(11-12(2)19)17(22)18(9-14(18)10-20)13-4-5-15-16(8-13)24-7-6-23-15/h4-5,8,14H,2-3,6-7,9-11,20H2,1H3/t14-,18+/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 human DAT				Bioorg Med Chem Lett 18: 3328-32 (2008) Article DOI: 10.1016/j.bmcl.2008.04.025 BindingDB Entry DOI: 10.7270/Q21V5FTK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50373249 (CHEMBL405613) Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H23FN2O3/c1-3-21(11-12(2)19)17(22)18(9-14(18)10-20)13-4-5-15-16(8-13)24-7-6-23-15/h4-5,8,14H,2-3,6-7,9-11,20H2,1H3/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of human SERT				Bioorg Med Chem Lett 18: 3328-32 (2008) Article DOI: 10.1016/j.bmcl.2008.04.025 BindingDB Entry DOI: 10.7270/Q21V5FTK
					More data for this Ligand-Target Pair