Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50402118'   

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))	BDBM50402118 (CHEMBL2207283) Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl |r| Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)19-4-3-18(11-20(19)21)38(2,35)36/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr				Bioorg Med Chem Lett 22: 7707-10 (2012) Article DOI: 10.1016/j.bmcl.2012.09.112 BindingDB Entry DOI: 10.7270/Q2JD4XZZ
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