Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50119715'   

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 H1 receptor (Homo sapiens (Human))	BDBM50119715 (((S)-1-{(S)-1-[3-(4-Acetyl-phenoxy)-propyl]-pyrrol...) Show SMILES CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C23H35N3O6/c1-16(28)17-6-8-19(9-7-17)31-13-5-11-26-12-10-18(14-26)24-21(29)20(15-27)25-22(30)32-23(2,3)4/h6-9,18,20,27H,5,10-15H2,1-4H3,(H,24,29)(H,25,30)/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human Histamine H1 receptor				Bioorg Med Chem Lett 12: 3055-8 (2002) BindingDB Entry DOI: 10.7270/Q2B56J3P
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