Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50156878'   

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))	BDBM50156878 (2-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...) Show SMILES CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C26H30Br2N2O4/c1-2-33-13-12-30-17-22(20-5-3-4-6-24(20)30)18-7-9-29(10-8-18)11-14-34-25-21(26(31)32)15-19(27)16-23(25)28/h3-6,15-18H,2,7-14H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes				J Med Chem 47: 6326-37 (2004) Article DOI: 10.1021/jm0498203 BindingDB Entry DOI: 10.7270/Q2HM57XC
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