Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50153420'   

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))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity towards human Melatonin receptor type 1A was determined by its ability to inhibit forskolin stimulated cAMP accumulation				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair