Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50440994'   

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))	BDBM50440994 (CHEMBL2432062) Show SMILES CN(Cc1ccc2OCOc2c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:13:20:18:22.16,12:22:20.21:18,14:21:18:22.16,15:16:20.21:18| Show InChI InChI=1S/C20H23NO2/c1-21(7-9-2-3-14-15(4-9)23-8-22-14)20-17-11-6-12-16-10(11)5-13(17)18(16)19(12)20/h2-4,10-13,16-20H,5-8H2,1H3/t10?,11?,12?,13?,16?,17?,18?,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of histamine H2 receptor (unknown origin) by PDSP assay				Bioorg Med Chem 21: 6038-52 (2013) Article DOI: 10.1016/j.bmc.2013.07.045 BindingDB Entry DOI: 10.7270/Q20P11GK
					More data for this Ligand-Target Pair