Found 6 hits with Last Name = 'graser' and Initial = 'g' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50241447
((2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-puri...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r| Show InChI InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A3 receptor |
J Med Chem 51: 4260-9 (2008)
Article DOI: 10.1021/jm800205c BindingDB Entry DOI: 10.7270/Q2MG7P90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50241166
((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 41.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A3 receptor |
J Med Chem 51: 4260-9 (2008)
Article DOI: 10.1021/jm800205c BindingDB Entry DOI: 10.7270/Q2MG7P90 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50241446
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-2-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccs3)ncnc12 |r| Show InChI InChI=1S/C15H17N5O4S/c21-5-9-11(22)12(23)15(24-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-25-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by ChEMBL
| Assay Description Inhibition of human adenosine A3 receptor |
J Med Chem 51: 4260-9 (2008)
Article DOI: 10.1021/jm800205c BindingDB Entry DOI: 10.7270/Q2MG7P90 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem Lett 20: 3906-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.020 BindingDB Entry DOI: 10.7270/Q2TD9Z97 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50321384
(CHEMBL1169978 | N-hydroxy-4-(2-(2-hydroxybenzylide...)Show SMILES ONC(=O)N1CCN(CC1)C(=S)NN=Cc1ccccc1O |w:14.15| Show InChI InChI=1S/C13H17N5O3S/c19-11-4-2-1-3-10(11)9-14-15-13(22)18-7-5-17(6-8-18)12(20)16-21/h1-4,9,19,21H,5-8H2,(H,15,22)(H,16,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem Lett 20: 3906-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.020 BindingDB Entry DOI: 10.7270/Q2TD9Z97 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50321385
(4-(2-(4-chlorobenzylidene)hydrazinecarbonothioyl)-...)Show SMILES ONC(=O)N1CCN(CC1)C(=S)NN=Cc1ccc(Cl)cc1 |w:14.15| Show InChI InChI=1S/C13H16ClN5O2S/c14-11-3-1-10(2-4-11)9-15-16-13(22)19-7-5-18(6-8-19)12(20)17-21/h1-4,9,21H,5-8H2,(H,16,22)(H,17,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem Lett 20: 3906-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.020 BindingDB Entry DOI: 10.7270/Q2TD9Z97 |
More data for this Ligand-Target Pair | |