Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50323439'   

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))	BDBM50323439 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CNC[C@H]3c3ccc(F)cc3F)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C28H30ClF2N3O2/c1-16-10-19-22(12-23(16)29)28(36-25(19)27(2,3)15-32)6-8-34(9-7-28)26(35)21-14-33-13-20(21)18-5-4-17(30)11-24(18)31/h4-5,10-12,20-21,25,33H,6-9,13-14H2,1-3H3/t20-,21+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human melatonin receptor type 1B				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
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