BDBM50419032 CHEMBL1813174

SMILES: CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1

InChI Key: InChIKey=WIULYJJPCALTGC-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 = 50419032   

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))	BDBM50419032 (CHEMBL1813174) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C25H36N4O4/c1-20(30)26-12-14-28(3)22-8-5-10-24(18-22)32-16-7-17-33-25-11-6-9-23(19-25)29(4)15-13-27-21(2)31/h5-6,8-11,18-19H,7,12-17H2,1-4H3,(H,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.4	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 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50419032 (CHEMBL1813174) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C25H36N4O4/c1-20(30)26-12-14-28(3)22-8-5-10-24(18-22)32-16-7-17-33-25-11-6-9-23(19-25)29(4)15-13-27-21(2)31/h5-6,8-11,18-19H,7,12-17H2,1-4H3,(H,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+3	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 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
					More data for this Ligand-Target Pair