Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50323443'   

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))	BDBM50323443 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r| Show InChI InChI=1S/C31H36ClF2N3O2/c1-18(2)37-15-23(21-7-6-20(33)13-27(21)34)24(16-37)29(38)36-10-8-31(9-11-36)25-14-26(32)19(3)12-22(25)28(39-31)30(4,5)17-35/h6-7,12-14,18,23-24,28H,8-11,15-16H2,1-5H3/t23-,24+,28-/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	295	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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