Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50160829'   

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))	BDBM50160829 (CHEMBL180233 | N-hydroxycarbamate derivative) Show SMILES CC(C)OC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C35H41F2N3O4/c1-27(2)44-35(41)40(42)21-4-3-7-28-8-18-33(19-9-28)43-26-6-5-20-38-22-24-39(25-23-38)34(29-10-14-31(36)15-11-29)30-12-16-32(37)17-13-30/h8-19,27,34,42H,4-6,20-26H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description Binding affinity for human Histamine H1 receptor in CHO K1 cells				Bioorg Med Chem Lett 15: 1083-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.023 BindingDB Entry DOI: 10.7270/Q2PN954N
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