Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50336071'   

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))	BDBM50336071 ((R)-3-(methyl(2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inde...) Show SMILES C[C@H](C1=C(CCN(C)CCC#N)Cc2ccccc12)c1cnccn1 |r,c:2| Show InChI InChI=1S/C21H24N4/c1-16(20-15-23-10-11-24-20)21-18(8-13-25(2)12-5-9-22)14-17-6-3-4-7-19(17)21/h3-4,6-7,10-11,15-16H,5,8,12-14H2,1-2H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				Bioorg Med Chem Lett 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair