BDBM50343992 CHEMBL1779804::N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)acetamide

SMILES: CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12

InChI Key: InChIKey=QDUMTUZTHHQTAT-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 = 50343992   

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))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.640	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	202	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair