BDBM50340331 CHEMBL1760950::N-(2-(6-methoxy-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide

SMILES: COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1

InChI Key: InChIKey=DFNVWYIFMXUJRF-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 = 50340331   

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))	BDBM50340331 (CHEMBL1760950 | N-(2-(6-methoxy-3-(piperidin-1-ylm...) Show SMILES COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340331 (CHEMBL1760950 | N-(2-(6-methoxy-3-(piperidin-1-ylm...) Show SMILES COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C18H26N4O2/c1-14(23)19-8-11-22-13-15(12-21-9-4-3-5-10-21)16-6-7-17(24-2)20-18(16)22/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,23)	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	742	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair