BDBM50343991 CHEMBL1779810::N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)but-3-enamide

SMILES: Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1

InChI Key: InChIKey=QURSEHRPLOXNGN-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 = 50343991   

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))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 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))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 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))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.15	n/a	n/a	n/a	n/a
University of Lille 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))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	188	n/a	n/a	n/a	n/a
University of Lille 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