BDBM50342771 CHEMBL456646::N-(2-(7-(methylsulfinyl)naphthalen-1-yl)ethyl)acetamide::N-[2-(7-methylsulfinyl-naphth-1-yl)ethyl]acetamide

SMILES: CC(=O)NCCc1cccc2ccc(cc12)S(C)=O

InChI Key: InChIKey=VHUITCKFPJTFHR-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 = 50342771   

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
Melatonin receptor (Homo sapiens (Human))	BDBM50342771 (CHEMBL456646 | N-(2-(7-(methylsulfinyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)=O Show InChI InChI=1S/C15H17NO2S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(19(2)18)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT1 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342771 (CHEMBL456646 | N-(2-(7-(methylsulfinyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)=O Show InChI InChI=1S/C15H17NO2S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(19(2)18)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37.1	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342771 (CHEMBL456646 | N-(2-(7-(methylsulfinyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)=O Show InChI InChI=1S/C15H17NO2S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(19(2)18)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50342771 (CHEMBL456646 | N-(2-(7-(methylsulfinyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)=O Show InChI InChI=1S/C15H17NO2S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(19(2)18)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT2 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair