BindingDB logo
myBDB logout

PubMed code 11549437

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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
Adenosine kinase


(Rattus norvegicus (rat))		BDBM14486
PNG
((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
PubMed
n/an/a 1.60n/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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104168
PNG
(4-Amino-6-((2R,3R,4S,5R)-5-aminomethyl-3,4-dihydro...)
Show SMILES COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H17N5O5/c1-20-11(19)5-8(13)14-3-15-9(5)16-10-7(18)6(17)4(2-12)21-10/h3-4,6-7,10,17-18H,2,12H2,1H3,(H3,13,14,15,16)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2n/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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104164
PNG
(4-((2R,3R,4S,5R)-5-Aminomethyl-3,4-dihydroxy-tetra...)
Show SMILES COC(=O)c1cncnc1N[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16N4O5/c1-19-11(18)5-3-13-4-14-9(5)15-10-8(17)7(16)6(2-12)20-10/h3-4,6-8,10,16-17H,2,12H2,1H3,(H,13,14,15)/t6-,7-,8-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50090850
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104173
PNG
(4-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tet...)
Show SMILES COC(=O)c1cncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N3O6/c1-19-11(18)5-2-12-4-13-9(5)14-10-8(17)7(16)6(3-15)20-10/h2,4,6-8,10,15-17H,3H2,1H3,(H,12,13,14)/t6-,7-,8-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 600n/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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50100587
PNG
((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O
Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104163
PNG
((2R,3R,4S,5R)-2-[6-Amino-5-(4,5-dihydro-oxazol-2-y...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C1=NCCO1 |t:19|
Show InChI InChI=1S/C12H17N5O5/c13-9-6(11-14-1-2-21-11)10(16-4-15-9)17-12-8(20)7(19)5(3-18)22-12/h4-5,7-8,12,18-20H,1-3H2,(H3,13,15,16,17)/t5-,7-,8-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104165
PNG
(4-Amino-6-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...)
Show SMILES COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16N4O5/c1-4-6(16)7(17)10(20-4)15-9-5(11(18)19-2)8(12)13-3-14-9/h3-4,6-7,10,16-17H,1-2H3,(H3,12,13,14,15)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.10E+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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104167
PNG
(4-Amino-6-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Show SMILES COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16N4O6/c1-20-11(19)5-8(12)13-3-14-9(5)15-10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H3,12,13,14,15)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104161
PNG
(4-Chloro-6-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxym...)
Show SMILES COC(=O)c1c(Cl)ncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14ClN3O6/c1-20-11(19)5-8(12)13-3-14-9(5)15-10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H,13,14,15)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104172
PNG
((2R,3R,4S,5R)-2-(6-Amino-5-benzenesulfinyl-pyrimid...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1S(=O)c1ccccc1
Show InChI InChI=1S/C15H18N4O5S/c16-13-12(25(23)8-4-2-1-3-5-8)14(18-7-17-13)19-15-11(22)10(21)9(6-20)24-15/h1-5,7,9-11,15,20-22H,6H2,(H3,16,17,18,19)/t9-,10-,11-,15-,25?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104171
PNG
(4-Amino-6-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C(=O)NCCO
Show InChI InChI=1S/C12H19N5O6/c13-9-6(11(22)14-1-2-18)10(16-4-15-9)17-12-8(21)7(20)5(3-19)23-12/h4-5,7-8,12,18-21H,1-3H2,(H,14,22)(H3,13,15,16,17)/t5-,7-,8-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50104169
PNG
((2R,3R,4S,5R)-2-(6-Amino-5-benzenesulfonyl-pyrimid...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H18N4O6S/c16-13-12(26(23,24)8-4-2-1-3-5-8)14(18-7-17-13)19-15-11(22)10(21)9(6-20)25-15/h1-5,7,9-11,15,20-22H,6H2,(H3,16,17,18,19)/t9-,10-,11-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
Adenosine kinase


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32V1S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%