BDBM50414596 CHEMBL556299

SMILES: CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=DASUUHWEMHDMII-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 = 50414596   

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))	BDBM50414596 (CHEMBL556299) Show SMILES CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H20N2/c1-19-11-10-17(14-5-3-2-4-6-14)15-7-8-18-16(13-15)9-12-20-18/h2-9,12-13,17,19-20H,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414596 (CHEMBL556299) Show SMILES CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H20N2/c1-19-11-10-17(14-5-3-2-4-6-14)15-7-8-18-16(13-15)9-12-20-18/h2-9,12-13,17,19-20H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414596 (CHEMBL556299) Show SMILES CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H20N2/c1-19-11-10-17(14-5-3-2-4-6-14)15-7-8-18-16(13-15)9-12-20-18/h2-9,12-13,17,19-20H,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair