Found 17 hits for monomerid = 22111 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor of rat cortical membranes |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
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| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]R-PIA from adenosine A1 receptor of rat cortical membranes |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
Reactome pathway KEGG
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| 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
Mol Pharmacol 29: 331-46 (1986)
BindingDB Entry DOI: 10.7270/Q2MK6BDV |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | Reactome pathway KEGG
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| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine Receptors A2a (A2a)
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
Mol Pharmacol 29: 331-46 (1986)
BindingDB Entry DOI: 10.7270/Q2MK6BDV |
More data for this Ligand-Target Pair | |
Adenosine Receptors A2a (A2a)
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
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| Article PubMed
| 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]-MSX-2 from Adenosine A2A receptor of rat striatal membranes |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine Receptors A2a (A2a)
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
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| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from Adenosine A2A receptor of rat striatal membranes |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | NCI pathway Reactome pathway KEGG
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| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity towards human adenosine A2B receptor in VA13 fibroblasts as inhibition of adenylate cyclase at 10 uM; Less than 10% inhibition |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | NCI pathway Reactome pathway KEGG
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| 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-298 from human adenosine A2B receptor expressed in HEK293 cells at 10 uM; Less than 10% inhibition |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Indolethylamine N-methyltransferase
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
KEGG
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| 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory constant towards indole N-methyl-transferase |
J Med Chem 26: 1470-7 (1983)
BindingDB Entry DOI: 10.7270/Q2FQ9X65 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
KEGG
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| Article PubMed
| 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Pierre et Marie Curie
Curated by ChEMBL
| Assay Description Inhibition constant against Escherichia coli cyclopropane fatty acid synthase |
Bioorg Med Chem Lett 14: 1661-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.051 BindingDB Entry DOI: 10.7270/Q26H4HZX |
More data for this Ligand-Target Pair | |
Catechol O-methyltransferase (MB-COMT)
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| >5.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay |
J Med Chem 24: 1271-7 (1982)
BindingDB Entry DOI: 10.7270/Q26D5TJM |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes without GTP |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Spermidine synthase
(Plasmodium falciparum) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 1.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
iNovacia AB
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum spermidine synthase |
J Med Chem 51: 2777-86 (2008)
Article DOI: 10.1021/jm7016144 BindingDB Entry DOI: 10.7270/Q2GM873F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes with GTP |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM22111
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of forskolin-stimulated cAMP accumulation in chinese hamster ovary cell membranes expressing human adenosine A3 receptor |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |