BDBM50414599 CHEMBL564285

SMILES: N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1

InChI Key: InChIKey=FJFCTBPGJGVZBJ-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 = 50414599   

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))	BDBM50414599 (CHEMBL564285) Show SMILES N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C21H22N4/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21/h1-7,12-13,19,23-24H,8-11,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	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))	BDBM50414599 (CHEMBL564285) Show SMILES N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C21H22N4/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21/h1-7,12-13,19,23-24H,8-11,15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414599 (CHEMBL564285) Show SMILES N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C21H22N4/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21/h1-7,12-13,19,23-24H,8-11,15H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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