BDBM50426342 CHEMBL2326689

SMILES: CN1CC=CCC(C1)c1cc2ccccc2o1

InChI Key: InChIKey=LBMMBEDCUJAMIZ-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50426342   

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))	BDBM50426342 (CHEMBL2326689) Show SMILES CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3| Show InChI InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426342 (CHEMBL2326689) Show SMILES CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3| Show InChI InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50426342 (CHEMBL2326689) Show SMILES CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3| Show InChI InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant SERT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50426342 (CHEMBL2326689) Show SMILES CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3| Show InChI InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by electrophysiological assay				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50426342 (CHEMBL2326689) Show SMILES CN1CC=CCC(C1)c1cc2ccccc2o1 |c:3| Show InChI InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair