BDBM50375713 CHEMBL429759

SMILES: CCOc1ccccc1Oc1cc(C)ncc1CN(C)C

InChI Key: InChIKey=HGZVDXQCKWQIFI-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 = 50375713   

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))	BDBM50375713 (CHEMBL429759) Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CN(C)C Show InChI InChI=1S/C17H22N2O2/c1-5-20-15-8-6-7-9-16(15)21-17-10-13(2)18-11-14(17)12-19(3)4/h6-11H,5,12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells				Bioorg Med Chem Lett 18: 1795-8 (2008) Article DOI: 10.1016/j.bmcl.2008.02.036 BindingDB Entry DOI: 10.7270/Q2125TH5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50375713 (CHEMBL429759) Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CN(C)C Show InChI InChI=1S/C17H22N2O2/c1-5-20-15-8-6-7-9-16(15)21-17-10-13(2)18-11-14(17)12-19(3)4/h6-11H,5,12H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells				Bioorg Med Chem Lett 18: 1795-8 (2008) Article DOI: 10.1016/j.bmcl.2008.02.036 BindingDB Entry DOI: 10.7270/Q2125TH5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50375713 (CHEMBL429759) Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CN(C)C Show InChI InChI=1S/C17H22N2O2/c1-5-20-15-8-6-7-9-16(15)21-17-10-13(2)18-11-14(17)12-19(3)4/h6-11H,5,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells				Bioorg Med Chem Lett 18: 1795-8 (2008) Article DOI: 10.1016/j.bmcl.2008.02.036 BindingDB Entry DOI: 10.7270/Q2125TH5
					More data for this Ligand-Target Pair