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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304912   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50304912
PNG
((((((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
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

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
8.98E+3n/an/an/an/an/an/an/an/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