Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50405175'   

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))	BDBM50405175 (CHEMBL30578) Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCCc1cn(C)cn1 Show InChI InChI=1S/C15H25N7S/c1-12-14(20-10-19-12)9-23-7-6-18-15(16)17-5-3-4-13-8-22(2)11-21-13/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
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