BDBM50188403 CHEMBL382439::N-(2-(5-methoxy-1-methyl-1H-indol-3-yl)-2-methylpropyl)cyN-(2-(5-Methoxy-1-methyl-1H-indol-3-yl)-2-methylpropyl)cyclobutanecarboxamide

SMILES: COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1

InChI Key: InChIKey=BYKMJQBTDAIGIH-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 = 50188403   

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))	BDBM50188403 (CHEMBL382439 | N-(2-(5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1 Show InChI InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50188403 (CHEMBL382439 | N-(2-(5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1 Show InChI InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair