Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50426657'   

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 1B (Homo sapiens (Human))	BDBM50426657 (CHEMBL2326199) Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1 Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human MT2 receptor expressed in CHO cells after 60 mins by microbeta scintillation method				Bioorg Med Chem 21: 547-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.060 BindingDB Entry DOI: 10.7270/Q29W0GTX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50426657 (CHEMBL2326199) Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1 Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay				Eur J Med Chem 109: 268-75 (2016) Article DOI: 10.1016/j.ejmech.2016.01.008 BindingDB Entry DOI: 10.7270/Q2NC6318
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50426657 (CHEMBL2326199) Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1 Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)	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	0.0500	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...				Bioorg Med Chem 21: 547-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.060 BindingDB Entry DOI: 10.7270/Q29W0GTX
					More data for this Ligand-Target Pair