Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50136408'   

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))	BDBM50136408 (CHEMBL336024 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(C)C(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)17-12-6-8-18(10-12)14-4-3-5-15-13(14)7-9-20-15/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	129	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 Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair