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SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(S)(=O)OCC(O)COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=UGFIKIGTGQQKQW-MFCGNMLWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350516   
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
Bis(5'-adenosyl)-triphosphatase


(Homo sapiens (Human))		BDBM50350516
PNG
(CHEMBL1812066)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(S)(=O)OCC(O)COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H32N10O13P2S2/c24-18-12-20(28-5-26-18)32(7-30-12)22-16(37)14(35)10(45-22)3-43-47(39,49)41-1-9(34)2-42-48(40,50)44-4-11-15(36)17(38)23(46-11)33-8-31-13-19(25)27-6-29-21(13)33/h5-11,14-17,22-23,34-38H,1-4H2,(H,39,49)(H,40,50)(H2,24,26,28)(H2,25,27,29)/t9?,10-,11-,14-,15-,16-,17-,22-,23-,47?,48?/m1/s1
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KEGG

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Similars
Article
PubMed
 35n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Fragile histidine triad prorein hydrolytic activity

Bioorg Med Chem 19: 5053-60 (2011)


Article DOI: 10.1016/j.bmc.2011.06.028
BindingDB Entry DOI: 10.7270/Q28K79GM
More data for this
Ligand-Target Pair