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Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'dare' and Initial = 'j'   
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


(Homo sapiens (Human))		BDBM50090867
PNG
((2R,3S,4R,5R)-2-(aminomethyl)-5-(4-chloro-5-iodo-7...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r|
Show InChI InChI=1S/C11H12ClIN4O3/c12-9-6-4(13)2-17(10(6)16-3-15-9)11-8(19)7(18)5(1-14)20-11/h2-3,5,7-8,11,18-19H,1,14H2/t5-,7-,8-,11-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2883-93 (2000)


BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090843
PNG
((1R,5S)-2-((3R,4aR)-4-Amino-5-bromo-pyrrolo[2,3-d]...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H14BrN5O3/c12-4-2-17(10-6(4)9(14)15-3-16-10)11-8(19)7(18)5(1-13)20-11/h2-3,5,7-8,11,18-19H,1,13H2,(H2,14,15,16)/t5-,7-,8-,11-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2883-93 (2000)


BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134740
PNG
((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...)
Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O4/c28-12-17-19(29)20(30)23(31-17)27-11-16(14-7-3-1-4-8-14)18-21(24-13-25-22(18)27)26-15-9-5-2-6-10-15/h1-11,13,17,19-20,23,28-30H,12H2,(H,24,25,26)/t17-,19+,20+,23+/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090887
PNG
((1R,4S,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrr...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O3/c1-14-19(28)20(29)23(30-14)27-12-17(15-8-4-2-5-9-15)18-21(24-13-25-22(18)27)26-16-10-6-3-7-11-16/h2-14,19-20,23,28-29H,1H3,(H,24,25,26)/t14-,19-,20-,23-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090862
PNG
((1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]p...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H14IN5O3/c12-4-2-17(10-6(4)9(14)15-3-16-10)11-8(19)7(18)5(1-13)20-11/h2-3,5,7-8,11,18-19H,1,13H2,(H2,14,15,16)/t5-,7-,8-,11-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2883-93 (2000)


BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134753
PNG
((1R,4S,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrr...)
Show SMILES C[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O3/c1-14-19(28)20(29)23(30-14)27-12-17(15-8-4-2-5-9-15)18-21(24-13-25-22(18)27)26-16-10-6-3-7-11-16/h2-14,19-20,23,28-29H,1H3,(H,24,25,26)/t14-,19+,20+,23+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090883
PNG
((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O4/c28-12-17-19(29)20(30)23(31-17)27-11-16(14-7-3-1-4-8-14)18-21(24-13-25-22(18)27)26-15-9-5-2-6-10-15/h1-11,13,17,19-20,23,28-30H,12H2,(H,24,25,26)/t17-,19-,20-,23-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090881
PNG
((2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-py...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)c(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H21BrN4O3/c1-13-18(29)19(30)23(31-13)28-20(24)16(14-8-4-2-5-9-14)17-21(25-12-26-22(17)28)27-15-10-6-3-7-11-15/h2-13,18-19,23,29-30H,1H3,(H,25,26,27)/t13-,18-,19-,23-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090880
PNG
(4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...)
Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(cc3)C#N)c12
Show InChI InChI=1S/C25H23N5O4/c1-14-21(31)22(32)25(34-14)30-12-19(16-5-9-18(33-2)10-6-16)20-23(27-13-28-24(20)30)29-17-7-3-15(11-26)4-8-17/h3-10,12-14,21-22,25,31-32H,1-2H3,(H,27,28,29)/t14-,21-,22-,25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090874
PNG
(2-[4-(4-Hydroxy-phenylamino)-5-phenyl-pyrrolo[2,3-...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C23H22N4O4/c1-13-19(29)20(30)23(31-13)27-11-17(14-5-3-2-4-6-14)18-21(24-12-25-22(18)27)26-15-7-9-16(28)10-8-15/h2-13,19-20,23,28-30H,1H3,(H,24,25,26)/t13-,19-,20-,23-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090875
PNG
(2-[5-(4-Chloro-phenyl)-4-phenylamino-pyrrolo[2,3-d...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H21ClN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-7-9-15(24)10-8-14)18-21(25-12-26-22(18)28)27-16-5-3-2-4-6-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134756
PNG
((2S,3S,4R,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...)
Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C23H21FN4O4/c24-14-6-8-15(9-7-14)27-21-18-16(13-4-2-1-3-5-13)10-28(22(18)26-12-25-21)23-20(31)19(30)17(11-29)32-23/h1-10,12,17,19-20,23,29-31H,11H2,(H,25,26,27)/t17-,19+,20+,23+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090895
PNG
((2R,3R,4S,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C23H21FN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090901
PNG
(2-Methyl-5-(5-phenyl-4-p-tolylamino-pyrrolo[2,3-d]...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(C)cc3)ncnc12
Show InChI InChI=1S/C24H24N4O3/c1-14-8-10-17(11-9-14)27-22-19-18(16-6-4-3-5-7-16)12-28(23(19)26-13-25-22)24-21(30)20(29)15(2)31-24/h3-13,15,20-21,24,29-30H,1-2H3,(H,25,26,27)/t15-,20-,21-,24-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090900
PNG
(2-Azidomethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,...)
Show SMILES O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H21N7O3/c24-29-27-11-17-19(31)20(32)23(33-17)30-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)30)28-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,31-32H,11H2,(H,25,26,28)/t17-,19-,20-,23-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090889
PNG
(2-[4-(4-Chloro-phenylamino)-5-phenyl-pyrrolo[2,3-d...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C23H21ClN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090899
PNG
(2-[5-(4-Chloro-phenyl)-4-(4-chloro-phenylamino)-py...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C23H20Cl2N4O3/c1-12-19(30)20(31)23(32-12)29-10-17(13-2-4-14(24)5-3-13)18-21(26-11-27-22(18)29)28-16-8-6-15(25)7-9-16/h2-12,19-20,23,30-31H,1H3,(H,26,27,28)/t12-,19-,20-,23-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134751
PNG
((2R,3R,4S,5S)-2-Hydroxymethyl-5-(3-phenyl-4-phenyl...)
Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C22H21N5O4/c28-11-15-18(29)19(30)22(31-15)27-21-16(17(26-27)13-7-3-1-4-8-13)20(23-12-24-21)25-14-9-5-2-6-10-14/h1-10,12,15,18-19,22,28-30H,11H2,(H,23,24,25)/t15-,18+,19+,22+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090844
PNG
((2R,3R,4S,5R)-2-(4-Chloro-5-iodo-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r|
Show InChI InChI=1S/C11H11ClIN3O3/c1-4-7(17)8(18)11(19-4)16-2-5(13)6-9(12)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3/t4-,7-,8-,11-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2883-93 (2000)


BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090884
PNG
(2-(5-Furan-2-yl-4-phenylamino-pyrrolo[2,3-d]pyrimi...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccco2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C21H20N4O4/c1-12-17(26)18(27)21(29-12)25-10-14(15-8-5-9-28-15)16-19(22-11-23-20(16)25)24-13-6-3-2-4-7-13/h2-12,17-18,21,26-27H,1H3,(H,22,23,24)/t12-,17-,18-,21-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134744
PNG
((2S,3S,4R,5S)-2-(4-Amino-3-bromo-pyrazolo[3,4-d]py...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(Br)c2c(N)ncnc12
Show InChI InChI=1S/C10H13BrN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090895
PNG
((2R,3R,4S,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C23H21FN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090893
PNG
(2-[4-(4-Methoxy-phenylamino)-5-phenyl-pyrrolo[2,3-...)
Show SMILES COc1ccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C24H24N4O4/c1-14-20(29)21(30)24(32-14)28-12-18(15-6-4-3-5-7-15)19-22(25-13-26-23(19)28)27-16-8-10-17(31-2)11-9-16/h3-14,20-21,24,29-30H,1-2H3,(H,25,26,27)/t14-,20-,21-,24-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090897
PNG
(2-Aminomethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(H,25,26,27)/t17-,19-,20-,23-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090854
PNG
((2R,3S,4R,5R)-2-(azidomethyl)-5-(4-chloro-5-iodo-7...)
Show SMILES O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H]([C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r|
Show InChI InChI=1S/C11H10ClIN6O3/c12-9-6-4(13)2-19(10(6)16-3-15-9)11-8(21)7(20)5(22-11)1-17-18-14/h2-3,5,7-8,11,20-21H,1H2/t5-,7-,8-,11-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2883-93 (2000)


BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		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
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n/an/a 9n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2883-93 (2000)


BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens (Human))		BDBM50090898
PNG
(2-[5-Furan-2-yl-4-(4-methoxy-phenylamino)-pyrrolo[...)
Show SMILES COc1ccc(Nc2ncnc3n(cc(-c4ccco4)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H22N4O5/c1-12-18(27)19(28)22(31-12)26-10-15(16-4-3-9-30-16)17-20(23-11-24-21(17)26)25-13-5-7-14(29-2)8-6-13/h3-12,18-19,22,27-28H,1-2H3,(H,23,24,25)/t12-,18-,19-,22-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335039
PNG
(2-Amino-5-cyclopropylmethyl-4-[2-(5-phosphono)fura...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C1CCCCC1
Show InChI InChI=1S/C13H17N2O4PS/c14-13-15-11(9-6-7-10(19-9)20(16,17)18)12(21-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,15)(H2,16,17,18)
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n/an/a 10n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335036
PNG
(2-Amino-5-cyclobutyl-4-[2-(5-phosphono)furanyl]thi...)
Show SMILES CC(C)(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C12H17N2O4PS/c1-12(2,3)6-8-10(14-11(13)20-8)7-4-5-9(18-7)19(15,16)17/h4-5H,6H2,1-3H3,(H2,13,14)(H2,15,16,17)
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n/an/a 12n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335069
PNG
(2-Amino-5-(2-naphthyl)-4-[2-(5-phosphono)furanyl]t...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N2O4PS/c18-17-19-15(13-7-8-14(23-13)24(20,21)22)16(25-17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,18,19)(H2,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335065
PNG
(2-Amino-5-(4-chlorophenyl)-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN2O4PS/c14-8-3-1-7(2-4-8)12-11(16-13(15)22-12)9-5-6-10(20-9)21(17,18)19/h1-6H,(H2,15,16)(H2,17,18,19)
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n/an/a 13n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090890
PNG
(4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C24H21N5O3/c1-14-20(30)21(31)24(32-14)29-12-18(16-5-3-2-4-6-16)19-22(26-13-27-23(19)29)28-17-9-7-15(11-25)8-10-17/h2-10,12-14,20-21,24,30-31H,1H3,(H,26,27,28)/t14-,20-,21-,24-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase

J Med Chem 43: 2894-905 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335063
PNG
(2-Amino-5-(4-methoxycarbonylphenyl)-4-[2-(5-phosph...)
Show SMILES COC(=O)c1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H13N2O6PS/c1-22-14(18)9-4-2-8(3-5-9)13-12(17-15(16)25-13)10-6-7-11(23-10)24(19,20)21/h2-7H,1H3,(H2,16,17)(H2,19,20,21)
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335057
PNG
(5-(2-amino-5-phenylthiazol-4-yl)furan-2-ylphosphon...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccccc1
Show InChI InChI=1S/C13H11N2O4PS/c14-13-15-11(9-6-7-10(19-9)20(16,17)18)12(21-13)8-4-2-1-3-5-8/h1-7H,(H2,14,15)(H2,16,17,18)
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335054
PNG
(2-Amino-4-[2-(5-phosphono)furanyl]-5-ethoxycarbony...)
Show SMILES CCOC(=O)c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H11N2O6PS/c1-2-17-9(13)8-7(12-10(11)20-8)5-3-4-6(18-5)19(14,15)16/h3-4H,2H2,1H3,(H2,11,12)(H2,14,15,16)
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n/an/a 14n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335055
PNG
(2-Amino-5-benzyloxycarbonyl-4-[2-(5-phosphono)fura...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H13N2O6PS/c16-15-17-12(10-6-7-11(23-10)24(19,20)21)13(25-15)14(18)22-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,17)(H2,19,20,21)
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n/an/a 15n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134745
PNG
((2R,3R,4S,5S)-2-Methoxymethyl-5-(5-phenyl-4-phenyl...)
Show SMILES COC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C24H24N4O4/c1-31-13-18-20(29)21(30)24(32-18)28-12-17(15-8-4-2-5-9-15)19-22(25-14-26-23(19)28)27-16-10-6-3-7-11-16/h2-12,14,18,20-21,24,29-30H,13H2,1H3,(H,25,26,27)/t18-,20+,21+,24+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335048
PNG
(2-Amino-5-(N-morpholinyl)-4-[2-(5-phosphono)furany...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)N1CCOCC1
Show InChI InChI=1S/C11H14N3O5PS/c12-11-13-9(7-1-2-8(19-7)20(15,16)17)10(21-11)14-3-5-18-6-4-14/h1-2H,3-6H2,(H2,12,13)(H2,15,16,17)
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n/an/a 16n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335083
PNG
(2-Amino-4-[2-(5-phosphono)furanyl]-5-propylsulfany...)
Show SMILES CCCSc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O4PS2/c1-2-5-18-9-8(12-10(11)19-9)6-3-4-7(16-6)17(13,14)15/h3-4H,2,5H2,1H3,(H2,11,12)(H2,13,14,15)
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n/an/a 16n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134743
PNG
((2S,3S,4R,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)
Show SMILES NC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H14IN5O3/c12-4-2-17(10-6(4)9(14)15-3-16-10)11-8(19)7(18)5(1-13)20-11/h2-3,5,7-8,11,18-19H,1,13H2,(H2,14,15,16)/t5-,7+,8+,11+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase

J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50293594
PNG
(5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...)
Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
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n/an/a 16n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1

J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335064
PNG
(2-Amino-5-(4-fluorophenyl)-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN2O4PS/c14-8-3-1-7(2-4-8)12-11(16-13(15)22-12)9-5-6-10(20-9)21(17,18)19/h1-6H,(H2,15,16)(H2,17,18,19)
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n/an/a 16n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335041
PNG
(2-Amino-5-cyclohexylmethyl-4-[2-(5-phosphono)furan...)
Show SMILES Nc1nc(c(CC2CCCC2)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C13H17N2O4PS/c14-13-15-12(9-5-6-11(19-9)20(16,17)18)10(21-13)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,14,15)(H2,16,17,18)
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n/an/a 18n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335037
PNG
(2-Amino-5-cyclopentyl-4-[2-(5-phosphono)furanyl]th...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C1CCC1
Show InChI InChI=1S/C11H13N2O4PS/c12-11-13-9(10(19-11)6-2-1-3-6)7-4-5-8(17-7)18(14,15)16/h4-6H,1-3H2,(H2,12,13)(H2,14,15,16)
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n/an/a 19n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335040
PNG
(2-Amino-5-cyclopentylmethyl-4-[2-(5-phosphono)fura...)
Show SMILES Nc1nc(c(CC2CC2)s1)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H13N2O4PS/c12-11-13-10(8(19-11)5-6-1-2-6)7-3-4-9(17-7)18(14,15)16/h3-4,6H,1-2,5H2,(H2,12,13)(H2,14,15,16)
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n/an/a 20n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335038
PNG
(2-Amino-5-cyclohexyl-4-[2-(5-phosphono)furanyl]thi...)
Show SMILES Nc1nc(-c2ccc(o2)P(O)(O)=O)c(s1)C1CCCC1
Show InChI InChI=1S/C12H15N2O4PS/c13-12-14-10(11(20-12)7-3-1-2-4-7)8-5-6-9(18-8)19(15,16)17/h5-7H,1-4H2,(H2,13,14)(H2,15,16,17)
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n/an/a 21n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335061
PNG
(2-Amino-5-(4-methylthiophenyl)-4-[2-(5-phosphono)f...)
Show SMILES CSc1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O4PS2/c1-22-9-4-2-8(3-5-9)13-12(16-14(15)23-13)10-6-7-11(20-10)21(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 21n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335059
PNG
(2-Amino-5-(3-methoxyphenyl)-4-[2-(5-phosphono)fura...)
Show SMILES COc1cccc(c1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O5PS/c1-20-9-4-2-3-8(7-9)13-12(16-14(15)23-13)10-5-6-11(21-10)22(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 21n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335060
PNG
(2-Amino-5-(4-methoxyphenyl)-4-[2-(5-phosphono)fura...)
Show SMILES COc1ccc(cc1)-c1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H13N2O5PS/c1-20-9-4-2-8(3-5-9)13-12(16-14(15)23-13)10-6-7-11(21-10)22(17,18)19/h2-7H,1H3,(H2,15,16)(H2,17,18,19)
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n/an/a 22n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))		BDBM50335050
PNG
(2-Amino-5-isopropylthio-4-[2-(5-phosphono)furanyl]...)
Show SMILES CC(C)Sc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C10H13N2O4PS2/c1-5(2)18-9-8(12-10(11)19-9)6-3-4-7(16-6)17(13,14)15/h3-5H,1-2H3,(H2,11,12)(H2,13,14,15)
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n/an/a 24n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP

J Med Chem 54: 153-65 (2011)


Article DOI: 10.1021/jm101035x
BindingDB Entry DOI: 10.7270/Q2CN74WJ
More data for this
Ligand-Target Pair
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