Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50543277'   

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 H2 receptor (Homo sapiens (Human))	BDBM50543277 (CHEMBL4642548) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O Show InChI InChI=1S/C25H38N4O3/c26-12-4-1-2-5-13-27-22-23(25(31)24(22)30)28-14-9-17-32-21-11-8-10-20(18-21)19-29-15-6-3-7-16-29/h8,10-11,18,27-28H,1-7,9,12-17,19,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count...				ACS Med Chem Lett 11: 1521-1528 (2020) Article DOI: 10.1021/acsmedchemlett.0c00033 BindingDB Entry DOI: 10.7270/Q2W380WD
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