Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50119719'   

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))	BDBM50119719 (2-Pyridin-3-yl-thiazole-4-carboxylic acid {(S)-1-[...) Show SMILES O=C(N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1)c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C26H28N4O3S/c31-24(18-4-5-18)19-6-8-22(9-7-19)33-14-2-12-30-13-10-21(16-30)28-25(32)23-17-34-26(29-23)20-3-1-11-27-15-20/h1,3,6-9,11,15,17-18,21H,2,4-5,10,12-14,16H2,(H,28,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+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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