Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50125634'   

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))	BDBM50125634 (CHEMBL19653 | Cyclopropyl-[4-((R)-6-methoxy-indan-...) Show SMILES COc1ccc2CC[C@@H](N3CCN(CC3)C(=O)C3CC3)c2c1 Show InChI InChI=1S/C18H24N2O2/c1-22-15-6-4-13-5-7-17(16(13)12-15)19-8-10-20(11-9-19)18(21)14-2-3-14/h4,6,12,14,17H,2-3,5,7-11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
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