BDBM50308119 2-(N-Pyrrolidinyl)-3'-methoxypropiophenone::CHEMBL580143

SMILES: COc1cccc(c1)C(=O)C(C)N1CCCCC1

InChI Key: InChIKey=VIWKHXNVEIOPSC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50308119   

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))	BDBM50308119 (2-(N-Pyrrolidinyl)-3'-methoxypropiophenone | CHEMB...) Show SMILES COc1cccc(c1)C(=O)C(C)N1CCCCC1 Show InChI InChI=1S/C15H21NO2/c1-12(16-9-4-3-5-10-16)15(17)13-7-6-8-14(11-13)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells				J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50308119 (2-(N-Pyrrolidinyl)-3'-methoxypropiophenone | CHEMB...) Show SMILES COc1cccc(c1)C(=O)C(C)N1CCCCC1 Show InChI InChI=1S/C15H21NO2/c1-12(16-9-4-3-5-10-16)15(17)13-7-6-8-14(11-13)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...				J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50308119 (2-(N-Pyrrolidinyl)-3'-methoxypropiophenone | CHEMB...) Show SMILES COc1cccc(c1)C(=O)C(C)N1CCCCC1 Show InChI InChI=1S/C15H21NO2/c1-12(16-9-4-3-5-10-16)15(17)13-7-6-8-14(11-13)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	452	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells				J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50308119 (2-(N-Pyrrolidinyl)-3'-methoxypropiophenone | CHEMB...) Show SMILES COc1cccc(c1)C(=O)C(C)N1CCCCC1 Show InChI InChI=1S/C15H21NO2/c1-12(16-9-4-3-5-10-16)15(17)13-7-6-8-14(11-13)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	718	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells				J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693
					More data for this Ligand-Target Pair