Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50153433'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50153433 (CHEMBL184144 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-2-9-26(29)27-21-16-17-28(19-21)24-14-8-15-25-23(24)18-22(30-25)13-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18,21H,2,6-7,9,12-13,16-17,19H2,1H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
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