Found 28 hits in this display 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 |
5'-nucleotidase
(Rattus norvegicus (Rat)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method |
J Med Chem 53: 2076-86 (2010)
Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-kinase type 2-alpha
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q25T3NQV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 1.05E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this Ligand-Target Pair | |
Sensor protein kinase WalK
(Staphylococcus aureus) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 7.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University
Curated by ChEMBL
| Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3... |
Bioorg Med Chem 26: 5322-5326 (2018)
Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H |
More data for this Ligand-Target Pair | |
Endoplasmin
(Canis familiaris) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a... |
J Med Chem 56: 6803-18 (2013)
Article DOI: 10.1021/jm400619b BindingDB Entry DOI: 10.7270/Q2PN972K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein 75 kDa, mitochondrial
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 5.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a... |
J Med Chem 56: 6803-18 (2013)
Article DOI: 10.1021/jm400619b BindingDB Entry DOI: 10.7270/Q2PN972K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4-kinase type 2-alpha
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q25T3NQV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytes |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(RAT) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) 3 uM |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 1
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 ) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 5
(Rattus norvegicus) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Antagonist activity against recombinant rat P2X purinoceptor 5 (P2X5) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Rattus norvegicus) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
Endoplasmin
(Canis familiaris) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a |
Infinity Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BODIPY-AG binding to dog Grp94 |
J Med Chem 49: 4606-15 (2006)
Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
2-dehydropantoate 2-reductase
(Escherichia coli (strain K12)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli KPR |
J Med Chem 49: 4992-5000 (2006)
Article DOI: 10.1021/jm060490r BindingDB Entry DOI: 10.7270/Q28S4QQN |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 6
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production |
J Med Chem 49: 5532-43 (2006)
Article DOI: 10.1021/jm060485n BindingDB Entry DOI: 10.7270/Q2ZC83NW |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 11
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc... |
J Med Chem 56: 4938-52 (2013)
Article DOI: 10.1021/jm400197m BindingDB Entry DOI: 10.7270/Q2Q52R0Q |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce... |
J Med Chem 56: 4938-52 (2013)
Article DOI: 10.1021/jm400197m BindingDB Entry DOI: 10.7270/Q2Q52R0Q |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Meleagris gallopavo) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitati... |
Eur J Med Chem 44: 1525-36 (2009)
Article DOI: 10.1016/j.ejmech.2008.07.015 BindingDB Entry DOI: 10.7270/Q2W37X7P |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi... |
Bioorg Med Chem Lett 27: 1031-1036 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 6.30E+4 | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ... |
Bioorg Med Chem Lett 27: 1031-1036 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R |
More data for this Ligand-Target Pair | |
P2X purinoceptor 6
(Rattus norvegicus) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Antagonist activity against recombinant rat P2X purinoceptor 6 (P2X6 ) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description The compound was evaluated for antagonist activity against recombinant human receptor P2X purinoceptor 2 (P2X2 ) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
Heat shock cognate 71 kDa protein
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis |
J Med Chem 59: 4625-36 (2016)
Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock cognate 71 kDa protein
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis |
J Med Chem 59: 4625-36 (2016)
Article DOI: 10.1021/acs.jmedchem.5b02001 BindingDB Entry DOI: 10.7270/Q2Z03B3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-base... |
J Med Chem 58: 8427-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00575 BindingDB Entry DOI: 10.7270/Q2736SRG |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Meleagris gallopavo) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 11
(Homo sapiens (Human)) | BDBM50368125
(ADENOSINE DIPHOSPHATE | ADP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Agonist activity at GFP-tagged human P2Y11R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-bas... |
J Med Chem 58: 8427-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00575 BindingDB Entry DOI: 10.7270/Q2736SRG |
More data for this Ligand-Target Pair | |