Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50220451'   

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))	BDBM50220451 (CHEMBL64120) Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C27H39N3O5/c1-27(2,3)35-26(33)30-14-4-6-23(30)25(32)29-17-15-28(16-18-29)13-5-19-34-22-11-9-21(10-12-22)24(31)20-7-8-20/h9-12,20,23H,4-8,13-19H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.01E+4	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 towards Histamine H2 receptor from human membranes				Bioorg Med Chem Lett 12: 2035-7 (2002) BindingDB Entry DOI: 10.7270/Q2RB75SX
					More data for this Ligand-Target Pair