BDBM50212047 9-(benzoyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate::CHEMBL225301

SMILES: COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=UTHHEYKEDWJWGE-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 = 50212047   

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))	BDBM50212047 (9-(benzoyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy...) Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C30H38N2O6/c1-22(33)31-18-17-25-26-21-24(36-2)15-16-27(26)32-28(25)30(35)38-20-12-7-5-3-4-6-11-19-37-29(34)23-13-9-8-10-14-23/h8-10,13-16,21,32H,3-7,11-12,17-20H2,1-2H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50212047 (9-(benzoyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy...) Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C30H38N2O6/c1-22(33)31-18-17-25-26-21-24(36-2)15-16-27(26)32-28(25)30(35)38-20-12-7-5-3-4-6-11-19-37-29(34)23-13-9-8-10-14-23/h8-10,13-16,21,32H,3-7,11-12,17-20H2,1-2H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
					More data for this Ligand-Target Pair