BDBM50212044 CHEMBL390944::pentyl 3-(2-acetamidoethyl)-5-methoxy-1Hindole-2-carboxylate

SMILES: CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O

InChI Key: InChIKey=XRYIVQBJVKPLSD-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 = 50212044   

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))	BDBM50212044 (CHEMBL390944 | pentyl 3-(2-acetamidoethyl)-5-metho...) Show SMILES CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O Show InChI InChI=1S/C19H26N2O4/c1-4-5-6-11-25-19(23)18-15(9-10-20-13(2)22)16-12-14(24-3)7-8-17(16)21-18/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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))	BDBM50212044 (CHEMBL390944 | pentyl 3-(2-acetamidoethyl)-5-metho...) Show SMILES CCCCCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O Show InChI InChI=1S/C19H26N2O4/c1-4-5-6-11-25-19(23)18-15(9-10-20-13(2)22)16-12-14(24-3)7-8-17(16)21-18/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.1	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