Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50086002'   

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))	BDBM50086002 (CHEMBL269670 | Cyclobutanecarboxylic acid [2-(6,7-...) Show SMILES O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CCC1 Show InChI InChI=1S/C24H26N2O/c27-24(18-8-5-9-18)25-15-14-21-20-12-3-4-13-22(20)26-16-6-10-17-7-1-2-11-19(17)23(21)26/h1-4,7,11-13,18H,5-6,8-10,14-16H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...				J Med Chem 43: 1050-61 (2000) BindingDB Entry DOI: 10.7270/Q2VQ33DC
					More data for this Ligand-Target Pair