Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50220334'   

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))	BDBM50220334 (CHEMBL2113738) Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(SC)cc2)CC1 Show InChI InChI=1S/C24H30N2O4S/c1-3-29-24(28)26-16-14-25(15-17-26)13-4-18-30-21-9-5-19(6-10-21)23(27)20-7-11-22(31-2)12-8-20/h5-12H,3-4,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for the human Histamine H2 receptor				Bioorg Med Chem Lett 12: 2031-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6G21
					More data for this Ligand-Target Pair