BDBM50377571 CHEMBL260038

SMILES: CNCc1cnc(C)cc1Oc1ccc(C)cc1OC

InChI Key: InChIKey=ZEFZLXPQUSMAFT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50377571   

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))	BDBM50377571 (CHEMBL260038) Show SMILES CNCc1cnc(C)cc1Oc1ccc(C)cc1OC Show InChI InChI=1S/C16H20N2O2/c1-11-5-6-14(16(7-11)19-4)20-15-8-12(2)18-10-13(15)9-17-3/h5-8,10,17H,9H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.082 BindingDB Entry DOI: 10.7270/Q2ZG6T44
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50377571 (CHEMBL260038) Show SMILES CNCc1cnc(C)cc1Oc1ccc(C)cc1OC Show InChI InChI=1S/C16H20N2O2/c1-11-5-6-14(16(7-11)19-4)20-15-8-12(2)18-10-13(15)9-17-3/h5-8,10,17H,9H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2896-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.082 BindingDB Entry DOI: 10.7270/Q2ZG6T44
					More data for this Ligand-Target Pair