Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calmodulin-sensitive adenylate cyclase' and Ligand = 'BDBM50304913'   

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
Calmodulin-sensitive adenylate cyclase (Bacillus anthracis)	BDBM50304913 ((2R,3R,4R,5R)-2-(6-amino-2-oxopyrimidin-1(2H)-yl)-...) Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(N)nc1=O |r| Show InChI InChI=1S/C17H23N4O15P3/c1-19-10-5-3-2-4-9(10)16(23)34-14-13(22)11(33-15(14)21-7-6-12(18)20-17(21)24)8-32-38(28,29)36-39(30,31)35-37(25,26)27/h2-7,11,13-15,19,22H,8H2,1H3,(H,28,29)(H,30,31)(H2,18,20,24)(H2,25,26,27)/t11-,13-,14-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay				Bioorg Med Chem Lett 20: 232-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.125 BindingDB Entry DOI: 10.7270/Q2CF9Q5V
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