BDBM50419036 CHEMBL1813325

SMILES: COc1cccc(c1)N(CCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O

InChI Key: InChIKey=KDFCFLWJPBQHOA-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 = 50419036   

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))	BDBM50419036 (CHEMBL1813325) Show SMILES COc1cccc(c1)N(CCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-19-31(25-11-9-13-27(21-25)35-3)17-7-5-6-8-18-32(20-16-30-24(2)34)26-12-10-14-28(22-26)36-4/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.3	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
Melatonin receptor (Homo sapiens (Human))	BDBM50419036 (CHEMBL1813325) Show SMILES COc1cccc(c1)N(CCCCCCN(CCNC(C)=O)c1cccc(OC)c1)CCNC(C)=O Show InChI InChI=1S/C28H42N4O4/c1-23(33)29-15-19-31(25-11-9-13-27(21-25)35-3)17-7-5-6-8-18-32(20-16-30-24(2)34)26-12-10-14-28(22-26)36-4/h9-14,21-22H,5-8,15-20H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	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