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29 similar compounds to monomer 50034908

Compile data set for download or QSAR
Wt: 277.3
BDBM22926
Purchase
Wt: 277.3
BDBM28393
Purchase
Wt: 263.3
BDBM50003610
Purchase
Wt: 275.3
BDBM50003608
Wt: 293.3
BDBM50003609
Wt: 263.2
BDBM50006217
Wt: 235.2
BDBM50006218
Purchase
Wt: 249.2
BDBM50006219
Wt: 249.2
BDBM50006221
Wt: 203.2
BDBM50009680
Purchase
Wt: 281.2
BDBM50011170
Wt: 231.2
BDBM50013702
Wt: 217.2
BDBM50013711
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Wt: 262.3
BDBM50028246
Purchase
Wt: 234.2
BDBM50454087
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 63 hits for monomerid = 22926,28393,50003610,50003608,50003609,50006217,50006218,50006219,50006221,50009680,50011170,50013702,50013711,50028246,50454087   
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 deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)


J Med Chem 37: 3844-9 (1994)


Article DOI: 10.1021/jm00048a020
BindingDB Entry DOI: 10.7270/Q2FT8K2W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase in calf intestinal mucosa.


Bioorg Med Chem Lett 6: 2417-2420 (1996)


Article DOI: 10.1016/0960-894X(96)00439-8
BindingDB Entry DOI: 10.7270/Q2PK0G3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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1.13n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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1.14n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of adenosine deaminase


J Med Chem 24: 1383-5 (1982)


Article DOI: 10.1021/jm00144a002
BindingDB Entry DOI: 10.7270/Q22N52T8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)


Bioorg Med Chem Lett 8: 1639-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00291-1
BindingDB Entry DOI: 10.7270/Q2M044JJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50006218
PNG
((1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m1/s1
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12n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)


Article DOI: 10.1021/jm00088a013
BindingDB Entry DOI: 10.7270/Q23J3BW0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50006221
PNG
(3-(6-Amino-purin-9-yl)-5-methyl-cyclopentane-1,2-d...)
Show SMILES C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)


Article DOI: 10.1021/jm00088a013
BindingDB Entry DOI: 10.7270/Q23J3BW0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosine deaminase


(Homo sapiens (Human))
BDBM22926
PNG
(3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
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37 -10.0n/an/an/an/an/a7.422



Fujisawa Pharmaceutical Co., Ltd.



Assay Description
The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...


Bioorg Med Chem Lett 13: 1115-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00026-X
BindingDB Entry DOI: 10.7270/Q29Z936D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003610
PNG
(2-(6-Amino-purin-9-yl)-octan-1-ol | CHEMBL335918)
Show SMILES CCCCCC[C@H](CO)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)/t10-/m1/s1
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47n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003609
PNG
(3-(6-Amino-purin-9-yl)-nonane-1,2-diol | CHEMBL132...)
Show SMILES CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O2/c1-2-3-4-5-6-10(11(21)7-20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20-21H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1
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56n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM22926
PNG
(3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
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57.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM22926
PNG
(3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
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59.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM22926
PNG
(3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
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455n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50006217
PNG
(3-(6-Amino-purin-9-yl)-5-ethyl-cyclopentane-1,2-di...)
Show SMILES CC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h4-7,9-10,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
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586n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)


Article DOI: 10.1021/jm00088a013
BindingDB Entry DOI: 10.7270/Q23J3BW0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028246
PNG
(3-Purin-9-yl-nonan-2-ol | CHEMBL321338)
Show SMILES CCCCCCC(C(C)O)n1cnc2cncnc12
Show InChI InChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
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680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf intestinal adenosine deaminase (ADA).


J Med Chem 25: 603-5 (1982)

Checked by Author
Article DOI: 10.1021/jm00347a023
BindingDB Entry DOI: 10.7270/Q26M35WJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028246
PNG
(3-Purin-9-yl-nonan-2-ol | CHEMBL321338)
Show SMILES CCCCCCC(C(C)O)n1cnc2cncnc12
Show InChI InChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
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840n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003608
PNG
(9-(1-Oxiranyl-heptyl)-9H-purin-6-ylamine | CHEMBL1...)
Show SMILES CCCCCC[C@H]([C@@H]1CO1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O/c1-2-3-4-5-6-10(11-7-20-11)19-9-18-12-13(15)16-8-17-14(12)19/h8-11H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1
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890n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


J Med Chem 35: 4180-4 (1992)

Checked by Author
Article DOI: 10.1021/jm00100a025
BindingDB Entry DOI: 10.7270/Q2SQ9118
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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1.14E+3 -8.24n/an/an/an/an/a7.230



Universita di Pisa



Assay Description
The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...


J Med Chem 52: 1681-92 (2009)


Article DOI: 10.1021/jm801427r
BindingDB Entry DOI: 10.7270/Q29K48J8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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1.80E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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1.80E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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3.40E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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3.70E+3n/an/an/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against human phosphatidylinositol 4-kinase


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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5.00E+3n/an/an/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against human phosphatidylinositol 4-kinase


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50006219
PNG
(3-(6-Amino-purin-9-yl)-5-methyl-cyclopentane-1,2-d...)
Show SMILES C[C@@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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5.02E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy).


J Med Chem 35: 1782-91 (1992)


Article DOI: 10.1021/jm00088a013
BindingDB Entry DOI: 10.7270/Q23J3BW0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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6.00E+3n/an/an/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against human phosphatidylinositol 4-kinase


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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8.20E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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1.10E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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1.30E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454087
PNG
(CHEMBL2112597)
Show SMILES Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1
Show InChI InChI=1S/C10H14N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-2-1-3-6(5)17/h4-6,17H,1-3H2,(H4,11,12,14,15)/t5-,6-/m1/s1
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2.08E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand


J Med Chem 38: 1174-88 (1995)


Article DOI: 10.1021/jm00007a014
BindingDB Entry DOI: 10.7270/Q2HQ40KN
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 17: 2812-22 (2009)


Article DOI: 10.1016/j.bmc.2009.02.030
BindingDB Entry DOI: 10.7270/Q25Q4X1J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50454087
PNG
(CHEMBL2112597)
Show SMILES Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1
Show InChI InChI=1S/C10H14N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-2-1-3-6(5)17/h4-6,17H,1-3H2,(H4,11,12,14,15)/t5-,6-/m1/s1
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1.99E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...


J Med Chem 38: 1174-88 (1995)


Article DOI: 10.1021/jm00007a014
BindingDB Entry DOI: 10.7270/Q2HQ40KN
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50006218
PNG
((1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m1/s1
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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SAHH at 1000 uM


Bioorg Med Chem Lett 18: 2615-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.029
BindingDB Entry DOI: 10.7270/Q2NK3FWJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4C by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013702
PNG
(9-Cycloheptyl-9H-adenine | 9-Cycloheptyl-9H-purin-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCCC1
Show InChI InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50013711
PNG
(9-Cyclohexyl-9H-adenine | 9-Cyclohexyl-9H-purin-6-...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCCC1
Show InChI InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Smith Kline& French Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site


J Med Chem 33: 2073-80 (1990)


Article DOI: 10.1021/jm00170a005
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a 635n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE2 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE3 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE11 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
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