null

SMILES: CCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12

InChI Key: InChIKey=HGVWVYPMCQEETQ-OAQYLSRUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161387   

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 type 1A (Homo sapiens (Human))	BDBM50161387 (CHEMBL178678 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H31NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161387 (CHEMBL178678 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H31NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair