Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50402109'   

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))	BDBM50402109 (CHEMBL2207659) Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2cn[nH]c2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C20H24ClF3N4O3/c1-12-8-13(21)2-3-17(12)31-15-4-6-28(7-5-15)11-14(29)9-25-19(30)16-10-26-27-18(16)20(22,23)24/h2-3,8,10,14-15,29H,4-7,9,11H2,1H3,(H,25,30)(H,26,27)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr				Bioorg Med Chem Lett 22: 7707-10 (2012) Article DOI: 10.1016/j.bmcl.2012.09.112 BindingDB Entry DOI: 10.7270/Q2JD4XZZ
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