BDBM50458985 CHEMBL4218247

SMILES: CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(O)c2)c1

InChI Key: InChIKey=PFIPXQGROSPOOK-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 = 50458985   

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))	BDBM50458985 (CHEMBL4218247) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(O)c2)c1 Show InChI InChI=1S/C23H32N2O4/c1-19(26)24-13-14-25(2)20-9-7-11-22(17-20)28-15-5-3-4-6-16-29-23-12-8-10-21(27)18-23/h7-12,17-18,27H,3-6,13-16H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50458985 (CHEMBL4218247) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(O)c2)c1 Show InChI InChI=1S/C23H32N2O4/c1-19(26)24-13-14-25(2)20-9-7-11-22(17-20)28-15-5-3-4-6-16-29-23-12-8-10-21(27)18-23/h7-12,17-18,27H,3-6,13-16H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino "Carlo Bo" Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...				J Med Chem 61: 7902-7916 (2018) Article DOI: 10.1021/acs.jmedchem.8b00893 BindingDB Entry DOI: 10.7270/Q2GX4F6V
					More data for this Ligand-Target Pair