BDBM50209175 CHEMBL396537::N,N-dimethyl-4-(5-nitro-1H-indol-3-yl)cyclohex-3-enamine

SMILES: CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O

InChI Key: InChIKey=OQPMHMPOPMZPGV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50209175   

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))	BDBM50209175 (CHEMBL396537 | N,N-dimethyl-4-(5-nitro-1H-indol-3-...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |w:3.2,c:6| Show InChI InChI=1S/C16H19N3O2/c1-18(2)12-5-3-11(4-6-12)15-10-17-16-8-7-13(19(20)21)9-14(15)16/h3,7-10,12,17H,4-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair