BDBM50266433 CHEMBL445427::N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-indol-1yl)methyl)]-1H-indol-3-yl}ethyl)cyclobutanecarboxamide

SMILES: COc1ccc2[nH]c(CN3CCc4ccccc34)c(CCNC(=O)C3CCC3)c2c1

InChI Key: InChIKey=RSFDBNGUELUOMT-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 = 50266433   

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))	BDBM50266433 (CHEMBL445427 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccccc34)c(CCNC(=O)C3CCC3)c2c1 Show InChI InChI=1S/C25H29N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,15,18,27H,4,6-7,11-14,16H2,1H3,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	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))	BDBM50266433 (CHEMBL445427 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccccc34)c(CCNC(=O)C3CCC3)c2c1 Show InChI InChI=1S/C25H29N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,15,18,27H,4,6-7,11-14,16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	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