Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50220466'   

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))	BDBM50220466 (CHEMBL63002) Show SMILES N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C28H33N3O3S/c29-25(19-24-18-22-4-1-2-5-26(22)35-24)28(33)31-15-13-30(14-16-31)12-3-17-34-23-10-8-21(9-11-23)27(32)20-6-7-20/h1-2,4-5,8-11,18,20,25H,3,6-7,12-17,19,29H2/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.37E+3	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 towards Histamine H1 receptor of human membranes.				Bioorg Med Chem Lett 12: 2035-7 (2002) BindingDB Entry DOI: 10.7270/Q2RB75SX
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