BDBM50419038 CHEMBL1813320

SMILES: CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1

InChI Key: InChIKey=BEXBBEIMOAMOKQ-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 = 50419038   

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))	BDBM50419038 (CHEMBL1813320) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.5	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))	BDBM50419038 (CHEMBL1813320) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	813	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