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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'dudfield' and Initial = 'pj'   
Target/Host
(Institution)
LigandTarget/Host
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
AMP deaminase 1


(Oryctolagus cuniculus)
BDBM50004699
PNG
(CHEBI:45262 | CHEMBL96862 | US11185100, TABLE 9.3)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
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PC sid
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6.50E+3n/an/an/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase


Bioorg Med Chem Lett 9: 1985-90 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ0591
More data for this
Ligand-Target Pair
AMP deaminase 1


(Oryctolagus cuniculus)
BDBM50004698
PNG
(CHEMBL1160282)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase


Bioorg Med Chem Lett 9: 1985-90 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ0591
More data for this
Ligand-Target Pair
AMP deaminase


(Arabidopsis thaliana)
BDBM50004698
PNG
(CHEMBL1160282)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Pisum sativum (pea) adenylate deaminase


Bioorg Med Chem Lett 9: 1985-90 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ0591
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50004697
PNG
(DEAMINOFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2cncnc12
Show InChI InChI=1S/C10H12N4O4/c15-2-5-8(16)9(17)10(18-5)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-17H,2H2,(H,13,14)/t5-,8-,9-,10+/m1/s1
PDB
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KEGG

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n/an/a 5.00E+3n/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (calf) intestinal mucosa adenylate deaminase


Bioorg Med Chem Lett 9: 1985-90 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ0591
More data for this
Ligand-Target Pair