Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50136411'   

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))	BDBM50136411 (1-Cyclopropyl-3-[(S)-1-(2,3-dihydro-benzofuran-4-y...) Show SMILES O=C(NC1CC1)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H21N3O2/c20-16(17-11-4-5-11)18-12-6-8-19(10-12)14-2-1-3-15-13(14)7-9-21-15/h1-3,11-12H,4-10H2,(H2,17,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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 MT2 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