BDBM50265294 CHEMBL496938::N,N-Dimethyl-2-[2-(N-4-nitrobenzylamine)-4-tolylthio]benzylamine

SMILES: CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=BYTXKMDEYAZNON-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 = 50265294   

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 (Rattus norvegicus (rat))	BDBM50265294 (CHEMBL496938 | N,N-Dimethyl-2-[2-(N-4-nitrobenzyla...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H25N3O2S/c1-17-8-13-23(29-22-7-5-4-6-19(22)16-25(2)3)21(14-17)24-15-18-9-11-20(12-10-18)26(27)28/h4-14,24H,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]MADAM from SERT in rat brain cortex membrane				Bioorg Med Chem 16: 9050-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.002 BindingDB Entry DOI: 10.7270/Q21G0M3J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50265294 (CHEMBL496938 | N,N-Dimethyl-2-[2-(N-4-nitrobenzyla...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H25N3O2S/c1-17-8-13-23(29-22-7-5-4-6-19(22)16-25(2)3)21(14-17)24-15-18-9-11-20(12-10-18)26(27)28/h4-14,24H,15-16H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR12935 from human cloned DAT expressed in HEK293 cells				Bioorg Med Chem 16: 9050-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.002 BindingDB Entry DOI: 10.7270/Q21G0M3J
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50265294 (CHEMBL496938 | N,N-Dimethyl-2-[2-(N-4-nitrobenzyla...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1NCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H25N3O2S/c1-17-8-13-23(29-22-7-5-4-6-19(22)16-25(2)3)21(14-17)24-15-18-9-11-20(12-10-18)26(27)28/h4-14,24H,15-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human cloned NET expressed in HEK293 cells				Bioorg Med Chem 16: 9050-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.002 BindingDB Entry DOI: 10.7270/Q21G0M3J
					More data for this Ligand-Target Pair