BDBM50054526 CHEMBL3323109

SMILES: CN1CC(c2ccc3ncccc3c2)c2ccccc2C1

InChI Key: InChIKey=WXJVSDNWZOTTOK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50054526   

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 dopamine transporter (Homo sapiens (Human))	BDBM50054526 (CHEMBL3323109) Show SMILES CN1CC(c2ccc3ncccc3c2)c2ccccc2C1 Show InChI InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis				ACS Med Chem Lett 5: 760-5 (2014) Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50054526 (CHEMBL3323109) Show SMILES CN1CC(c2ccc3ncccc3c2)c2ccccc2C1 Show InChI InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis				ACS Med Chem Lett 5: 760-5 (2014) Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50054526 (CHEMBL3323109) Show SMILES CN1CC(c2ccc3ncccc3c2)c2ccccc2C1 Show InChI InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis				ACS Med Chem Lett 5: 760-5 (2014) Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR
					More data for this Ligand-Target Pair