BDBM50266454 CHEMBL456505::N-(2-{2-[(6-Amino-2,3-dihydro-1H-indol-1yl)methyl]-5-methoxy-1Hindole-3-yl }ethyl)acetamide

SMILES: COc1ccc2[nH]c(CN3CCc4ccc(N)cc34)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=GCEPARAASJJCET-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 = 50266454   

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))	BDBM50266454 (CHEMBL456505 | N-(2-{2-[(6-Amino-2,3-dihydro-1H-in...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(N)cc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H26N4O2/c1-14(27)24-9-7-18-19-12-17(28-2)5-6-20(19)25-21(18)13-26-10-8-15-3-4-16(23)11-22(15)26/h3-6,11-12,25H,7-10,13,23H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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
Melatonin receptor (Homo sapiens (Human))	BDBM50266454 (CHEMBL456505 | N-(2-{2-[(6-Amino-2,3-dihydro-1H-in...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(N)cc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H26N4O2/c1-14(27)24-9-7-18-19-12-17(28-2)5-6-20(19)25-21(18)13-26-10-8-15-3-4-16(23)11-22(15)26/h3-6,11-12,25H,7-10,13,23H2,1-2H3,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	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