Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50405168'   

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))	BDBM50405168 (CHEMBL30946) Show SMILES Cc1nc[nH]c1CSCCNC(=S)NCCCc1cnc[nH]1 Show InChI InChI=1S/C14H22N6S2/c1-11-13(20-10-18-11)8-22-6-5-17-14(21)16-4-2-3-12-7-15-9-19-12/h7,9-10H,2-6,8H2,1H3,(H,15,19)(H,18,20)(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20E+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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