BDBM50266406 CHEMBL514413::N-[2-(9-Methoxy-13a,14-dihydro-6H,13H-pyrazino[1,2-a:4,5-a']diindol-7-yl)-ethyl]-acetamide::N-[2-(9-Methoxy-13a,14-dihydro-6H,13H-pyrazino[1,2-a;4,5-a']diindol-7-yl)-ethyl]-acetamide

SMILES: COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1

InChI Key: InChIKey=UBSQZXKDXDODTC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50266406   

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))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	319	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair