BDBM50426349 CHEMBL2322001

SMILES: C1NCC(CC=C1)c1ccc2ccccc2c1

InChI Key: InChIKey=APQGMQHBIOJWDO-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 = 50426349   

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))	BDBM50426349 (CHEMBL2322001) Show SMILES C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5| Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
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))	BDBM50426349 (CHEMBL2322001) Show SMILES C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5| Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25	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))	BDBM50426349 (CHEMBL2322001) Show SMILES C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5| Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	63	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))	BDBM50426349 (CHEMBL2322001) Show SMILES C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5| Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+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))	BDBM50426349 (CHEMBL2322001) Show SMILES C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5| Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+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