BDBM50304912 (((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(2-(methylamino)benzamido)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)dichloromethylphosphonic acid::CHEMBL595163

SMILES: CNc1ccccc1C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12

InChI Key: InChIKey=ODTZRFAHSKFBJK-LZDVPDMXSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304912   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calmodulin-sensitive adenylate cyclase (Bacillus anthracis)	BDBM50304912 ((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydr...) Show SMILES CNc1ccccc1C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H24Cl2N7O12P3/c1-23-10-5-3-2-4-9(10)17(30)27-12-14(29)11(39-18(12)28-8-26-13-15(22)24-7-25-16(13)28)6-38-43(36,37)40-42(34,35)19(20,21)41(31,32)33/h2-5,7-8,11-12,14,18,23,29H,6H2,1H3,(H,27,30)(H,34,35)(H,36,37)(H2,22,24,25)(H2,31,32,33)/t11-,12-,14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.98E+3	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