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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenylate kinase 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Adenylate kinase 2


(Homo sapiens)
BDBM50367071
PNG
(CHEMBL607736)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCCCCNC(=O)OCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H33N6O15P3/c30-18-16(12-41-46(36,37)44-47(38,39)43-45(33,34)35)42-22(19(18)31)29-14-28-17-20(26-13-27-21(17)29)24-9-5-2-6-10-25-23(32)40-11-15-7-3-1-4-8-15/h1,3-4,7-8,13-14,16,18-19,22,30-31H,2,5-6,9-12H2,(H,25,32)(H,36,37)(H,38,39)(H,24,26,27)(H2,33,34,35)/t16-,18-,19-,22?/m1/s1
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4.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant


J Med Chem 25: 382-6 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(Homo sapiens)
BDBM50367065
PNG
(CHEMBL608643)
Show SMILES CC(=O)NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H32N7O14P3/c1-10(26)20-6-4-2-3-5-7-21-18-24-12-15(19)22-9-23-16(12)25(18)17-14(28)13(27)11(37-17)8-36-41(32,33)39-42(34,35)38-40(29,30)31/h9,11,13-14,17,27-28H,2-8H2,1H3,(H,20,26)(H,21,24)(H,32,33)(H,34,35)(H2,19,22,23)(H2,29,30,31)/t11-,13-,14-,17?/m1/s1
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6.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant


J Med Chem 25: 382-6 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(Homo sapiens)
BDBM50367072
PNG
(CHEMBL610134)
Show SMILES CN(CCCN(C)C(=O)CCCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H51N8O17P3/c1-39(17-10-18-40(2)26(43)14-7-9-16-35-33(46)54-19-23-11-4-3-5-12-23)25(42)13-6-8-15-34-30-27-31(37-21-36-30)41(22-38-27)32-29(45)28(44)24(56-32)20-55-60(50,51)58-61(52,53)57-59(47,48)49/h3-5,11-12,21-22,24,28-29,32,44-45H,6-10,13-20H2,1-2H3,(H,35,46)(H,50,51)(H,52,53)(H,34,36,37)(H2,47,48,49)/t24-,28-,29-,32?/m1/s1
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6.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant


J Med Chem 25: 382-6 (1982)

More data for this
Ligand-Target Pair
Adenylate kinase 2


(Homo sapiens)
BDBM50367070
PNG
(CHEMBL609238)
Show SMILES NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H30N7O13P3/c17-5-3-1-2-4-6-19-16-22-10-13(18)20-8-21-14(10)23(16)15-12(25)11(24)9(34-15)7-33-38(29,30)36-39(31,32)35-37(26,27)28/h8-9,11-12,15,24-25H,1-7,17H2,(H,19,22)(H,29,30)(H,31,32)(H2,18,20,21)(H2,26,27,28)/t9-,11-,12-,15?/m1/s1
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PubMed
7.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant


J Med Chem 25: 382-6 (1982)

More data for this
Ligand-Target Pair