Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50301393'   

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))	BDBM50301393 (1-[4-(4-methylcyclohexyl)butyl]alpha,alpha-dipheny...) Show SMILES CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)| Show InChI InChI=1S/C29H41NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-14,24-25,28,31H,8-10,15-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting				Bioorg Med Chem Lett 19: 5043-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.047 BindingDB Entry DOI: 10.7270/Q2NP24HJ
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