Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calmodulin-sensitive adenylate cyclase' and Ligand = 'BDBM50206817'   

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)	BDBM50206817 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-...) Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |w:15.16,19.20| Show InChI InChI=1S/C18H23N6O14P3/c1-20-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	980	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
					More data for this Ligand-Target Pair