BDBM50211046 CHEMBL396754::ethyl 4-(3-nitrophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate

SMILES: CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=SDIRDYYWJCYZFU-UHFFFAOYSA-N

Data: 3 KI

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 = 50211046   

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 serotonin transporter (Homo sapiens (Human))	BDBM50211046 (CHEMBL396754 | ethyl 4-(3-nitrophenyl)-1,2,5,6-tet...) Show SMILES CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O |t:5| Show InChI InChI=1S/C14H16N2O4/c1-2-20-14(17)13-9-15-7-6-12(13)10-4-3-5-11(8-10)16(18)19/h3-5,8,15H,2,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50211046 (CHEMBL396754 | ethyl 4-(3-nitrophenyl)-1,2,5,6-tet...) Show SMILES CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O |t:5| Show InChI InChI=1S/C14H16N2O4/c1-2-20-14(17)13-9-15-7-6-12(13)10-4-3-5-11(8-10)16(18)19/h3-5,8,15H,2,6-7,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50211046 (CHEMBL396754 | ethyl 4-(3-nitrophenyl)-1,2,5,6-tet...) Show SMILES CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O |t:5| Show InChI InChI=1S/C14H16N2O4/c1-2-20-14(17)13-9-15-7-6-12(13)10-4-3-5-11(8-10)16(18)19/h3-5,8,15H,2,6-7,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair