Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50398349'   

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))	BDBM50398349 (CHEMBL2178580) Show SMILES [#6]-c1ccc(nn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]-c2ccc3cc(F)ccc3c2)-[#6]-1 |r| Show InChI InChI=1S/C28H30FN5O2/c1-19-2-7-26(32-31-19)28(36)34-12-8-20(9-13-34)15-27(35)30-25-10-11-33(18-25)17-21-3-4-23-16-24(29)6-5-22(23)14-21/h2-7,14-16,25H,8-13,17-18H2,1H3,(H,30,35)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor expressed in human PC3 cells inhibition of histamine-induced calcium influx by cell based assay				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
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