Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50317725'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317725 ((2R,4S)-ethyl 2-(4-cyclobutyl-1,4-diazepane-1-carb...) Show SMILES CCOC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1 |r| Show InChI InChI=1S/C23H32FN3O4/c1-2-30-23(29)27-16-20(31-19-9-3-6-17(24)14-19)15-21(27)22(28)26-11-5-10-25(12-13-26)18-7-4-8-18/h3,6,9,14,18,20-21H,2,4-5,7-8,10-13,15-16H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
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