Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50263600'   

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))	BDBM50263600 (CHEMBL478217 | N-[2-(3-(3-Dimethylaminophenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)N(C)C Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
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