Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50213959'   

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))	BDBM50213959 (CHEMBL50294) Show SMILES CN(C)CC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1 Show InChI InChI=1S/C22H32N4O3S/c1-25(2)12-9-24-20-19(21(27)22(20)28)23-8-4-7-13-29-17-14-18(30-16-17)15-26-10-5-3-6-11-26/h4,7,14,16,27-28H,3,5-6,8-13,15H2,1-2H3/b7-4-,23-19-,24-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	809	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Histamine H2 receptor antagonistic activity				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP773S
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