BDBM50414590 CHEMBL561598

SMILES: C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1

InChI Key: InChIKey=KYMPTONVLFUIMS-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 = 50414590   

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))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	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 dopamine transporter (Homo sapiens (Human))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	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