BDBM50416694 CHEMBL1222983

SMILES: COc1ccc(OC(C)CNC(C)=O)cc1

InChI Key: InChIKey=XCJZKGNGRLWXRE-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 = 50416694   

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))	BDBM50416694 (CHEMBL1222983) Show SMILES COc1ccc(OC(C)CNC(C)=O)cc1 Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-11(15-3)5-7-12/h4-7,9H,8H2,1-3H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50416694 (CHEMBL1222983) Show SMILES COc1ccc(OC(C)CNC(C)=O)cc1 Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-11(15-3)5-7-12/h4-7,9H,8H2,1-3H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair