Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50119705'   

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))	BDBM50119705 (CHEMBL101691 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N2O4S/c26-23(18-7-8-18)19-9-11-21(12-10-19)29-16-4-14-25-15-13-20(17-25)24-30(27,28)22-5-2-1-3-6-22/h1-3,5-6,9-12,18,20,24H,4,7-8,13-17H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10E+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 to the human Histamine H1 receptor				Bioorg Med Chem Lett 12: 3055-8 (2002) BindingDB Entry DOI: 10.7270/Q2B56J3P
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