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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350515   
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))		BDBM50350515
PNG
(CHEMBL1812067)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(S)(=O)OCC(COP(O)(S)=O)(COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)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/C35H49N15O21P4S4/c36-26-17-29(42-8-39-26)48(11-45-17)32-23(54)20(51)14(69-32)1-62-73(59,77)66-5-35(4-65-72(57,58)76,6-67-74(60,78)63-2-15-21(52)24(55)33(70-15)49-12-46-18-27(37)40-9-43-30(18)49)7-68-75(61,79)64-3-16-22(53)25(56)34(71-16)50-13-47-19-28(38)41-10-44-31(19)50/h8-16,20-25,32-34,51-56H,1-7H2,(H,59,77)(H,60,78)(H,61,79)(H2,36,39,42)(H2,37,40,43)(H2,38,41,44)(H2,57,58,76)/t14-,15-,16-,20-,21-,22-,23-,24-,25-,32-,33-,34-,35?,73?,74?,75?/m1/s1
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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