BDBM50230954 CHEMBL4105511

SMILES: CCNC(=S)NCCc1cccc2ncc(OC)cc12

InChI Key: InChIKey=UMKANLZVEJDZEY-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50230954   

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))	BDBM50230954 (CHEMBL4105511) Show SMILES CCNC(=S)NCCc1cccc2ncc(OC)cc12 Show InChI InChI=1S/C15H19N3OS/c1-3-16-15(20)17-8-7-11-5-4-6-14-13(11)9-12(19-2)10-18-14/h4-6,9-10H,3,7-8H2,1-2H3,(H2,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50230954 (CHEMBL4105511) Show SMILES CCNC(=S)NCCc1cccc2ncc(OC)cc12 Show InChI InChI=1S/C15H19N3OS/c1-3-16-15(20)17-8-7-11-5-4-6-14-13(11)9-12(19-2)10-18-14/h4-6,9-10H,3,7-8H2,1-2H3,(H2,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair