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There are 21 purchasable compounds for target: Adora3 protein

Wt: 267.2
BDBM14487
Wt: 348.2
BDBM19254
Wt: 347.2
BDBM18137
Wt: 308.2
BDBM21220
Wt: 277.3
BDBM22926
Wt: 398.4
BDBM28422
Wt: 180.1
BDBM82521
Wt: 166.1
BDBM82522
Wt: 186.5
BDBM82523
Wt: 284.2
BDBM82531
Wt: 180.1
BDBM82534
Wt: 363.2
BDBM81822
Wt: 432.4
BDBM85618
Wt: 385.4
BDBM50006730
Wt: 251.2
BDBM50025883
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 14487,19254,18137,21220,22926,28422,82521,82522,82523,82531,82534,81822,85618,50006730,50025883   
Target
(Institution)
LigandTarget
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
ADORA3


(RAT)
BDBM82522
PNG
(7-MethylX | 7-Methylxanthine | CAS_552-62-5 | CHEM...)
Show SMILES Cn1cnc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
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PubMed
16.4n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM82523
PNG
(8-ChloroT | 8-Chloroxanthine | CAS_13548-68-0)
Show SMILES Clc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
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16.8n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM82534
PNG
(1,9-DimethylX | 1,9-Dimethylxanthine)
Show SMILES Cn1cnc2c1[nH]c(=O)n(C)c2=O
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(10)9-7(13)11(2)6(4)12/h3H,1-2H3,(H,9,13)
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17n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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17.2n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM82521
PNG
(3,9-DimethylX | 3,9-Dimethylxanthine | 3,9-dimethy...)
Show SMILES Cn1cnc2c1n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)
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19n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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PubMed
23.7n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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PubMed
28.3n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM82531
PNG
(6-Thiopurine riboside | CAS_1867 | NSC_1867)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c1nc[nH]c2=S
Show InChI InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)
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PubMed
41.9n/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)

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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PubMed
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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
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Article
PubMed
218n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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PubMed
261n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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PubMed
2.47E+3n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by PDSP Ki Database




Mol Pharmacol 57: 968-75 (2000)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM81822
PNG
(CAS_6804 | GMP | Guanosine | NSC_6804)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
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>1.00E+4n/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)

More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM19254
PNG
(IMP | Inosine | Inosinic acid | [(2R,3S,4R,5R)-3,4...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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>1.00E+4n/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)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 14487,19254,18137,21220,22926,28422,82521,82522,82523,82531,82534,81822,85618,50006730,50025883
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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PC cid
PC sid
-6.690.0676-6.69n/a7.510



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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PC cid
PC sid
-6.452.41-8.84n/a7.515



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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-6.69-1.99-4.54n/a7.55



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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PC cid
PC sid
-6.454.76-11.1n/a7.520



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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-6.217.83-14.3n/a7.525



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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-5.739.27-15.1n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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-6.216.22-12.5n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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-6.696.62-13.6n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)

Phosphoehtnaolamine Methyltransferases 1 (PMT1)

(Caenorhabditis elegans)
BDBM28422
JPEG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
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-6.935.49-12.7n/a7.54



Washington University





J Biol Chem 286: 38060-8 (2011)