BDBM50266452 CHEMBL514904::N-{2-[5-Methoxy-2-(pyrrolidin-1ylmethyl)-1H-indol-3-yl]ethyl}acetamide

SMILES: COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=VXBVQCXKIVQUEZ-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 = 50266452   

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))	BDBM50266452 (CHEMBL514904 | N-{2-[5-Methoxy-2-(pyrrolidin-1ylme...) Show SMILES COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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))	BDBM50266452 (CHEMBL514904 | N-{2-[5-Methoxy-2-(pyrrolidin-1ylme...) Show SMILES COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	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