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4 similar compounds to monomer 50100587

Compile data set for download or QSAR
Wt: 271.2
BDBM50104162
Wt: 286.2
BDBM50104166
Wt: 363.3
BDBM50104170
Wt: 350.1
BDBM50104160

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50104162,50104166,50104170,50104160   
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
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50104160
PNG
((2R,3R,4S,5S)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CBr)[C@@H](O)[C@H]2O)c1[N+]([O-])=O
Show InChI InChI=1S/C9H12BrN5O5/c10-1-3-5(16)6(17)9(20-3)14-8-4(15(18)19)7(11)12-2-13-8/h2-3,5-6,9,16-17H,1H2,(H3,11,12,13,14)/t3-,5-,6-,9-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Adenosine kinase of rat brain cytosol.


Bioorg Med Chem Lett 11: 2419-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00454-1
BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50104170
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-(5-nitro-6-phenyla...)
Show SMILES OC[C@H]1O[C@@H](Nc2ncnc(Nc3ccccc3)c2[N+]([O-])=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H17N5O6/c21-6-9-11(22)12(23)15(26-9)19-14-10(20(24)25)13(16-7-17-14)18-8-4-2-1-3-5-8/h1-5,7,9,11-12,15,21-23H,6H2,(H2,16,17,18,19)/t9-,11-,12-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Adenosine kinase of rat brain cytosol.


Bioorg Med Chem Lett 11: 2419-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00454-1
BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50104166
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-5-nitro-pyr...)
Show SMILES NC[C@H]1O[C@@H](Nc2ncnc(N)c2[N+]([O-])=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C9H14N6O5/c10-1-3-5(16)6(17)9(20-3)14-8-4(15(18)19)7(11)12-2-13-8/h2-3,5-6,9,16-17H,1,10H2,(H3,11,12,13,14)/t3-,5-,6-,9-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Adenosine kinase of rat brain cytosol.


Bioorg Med Chem Lett 11: 2419-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00454-1
BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50104162
PNG
((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...)
Show SMILES C[C@H]1O[C@@H](Nc2ncnc(N)c2[N+]([O-])=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C9H13N5O5/c1-3-5(15)6(16)9(19-3)13-8-4(14(17)18)7(10)11-2-12-8/h2-3,5-6,9,15-16H,1H3,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Adenosine kinase of rat brain cytosol.


Bioorg Med Chem Lett 11: 2419-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00454-1
BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair