BDBM50149167 CHEMBL330969::N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide

SMILES: CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12

InChI Key: InChIKey=PTOVGUVIJNSFSE-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 = 50149167   

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))	BDBM50149167 (CHEMBL330969 | N-{3-[2-(4-Phenyl-butyl)-benzooxazo...) Show SMILES CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12 Show InChI InChI=1S/C23H28N2O2/c1-2-21(26)24-17-9-14-19-13-8-15-20-23(19)27-22(25-20)16-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13,15H,2,6-7,9,12,14,16-17H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 14: 3799-802 (2004) Article DOI: 10.1016/j.bmcl.2004.04.082 BindingDB Entry DOI: 10.7270/Q2S75FSR
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50149167 (CHEMBL330969 | N-{3-[2-(4-Phenyl-butyl)-benzooxazo...) Show SMILES CCC(=O)NCCCc1cccc2nc(CCCCc3ccccc3)oc12 Show InChI InChI=1S/C23H28N2O2/c1-2-21(26)24-17-9-14-19-13-8-15-20-23(19)27-22(25-20)16-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13,15H,2,6-7,9,12,14,16-17H2,1H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligand				Bioorg Med Chem Lett 14: 3799-802 (2004) Article DOI: 10.1016/j.bmcl.2004.04.082 BindingDB Entry DOI: 10.7270/Q2S75FSR
					More data for this Ligand-Target Pair