Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50404960'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50404960 (CHEMBL32409) Show SMILES CNC(Nc1cccc(c1)-c1nc[nH]c1C)=NC#N |w:16.18| Show InChI InChI=1S/C13H14N6/c1-9-12(18-8-17-9)10-4-3-5-11(6-10)19-13(15-2)16-7-14/h3-6,8H,1-2H3,(H,17,18)(H2,15,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimulated chronotropic response of the guinea pig atrium				J Med Chem 26: 140-4 (1983) BindingDB Entry DOI: 10.7270/Q2R212KZ
					More data for this Ligand-Target Pair