Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50405174'   

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))	BDBM50405174 (CHEMBL30761) Show SMILES Cc1nc[nH]c1CSCCNC(NCCCc1cnc[nH]1)=NC#N |w:21.23| Show InChI InChI=1S/C15H22N8S/c1-12-14(23-11-21-12)8-24-6-5-19-15(20-9-16)18-4-2-3-13-7-17-10-22-13/h7,10-11H,2-6,8H2,1H3,(H,17,22)(H,21,23)(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	575	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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