ADP [Ligand Id: 1712] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL14830 (Adenosine diphosphate, ADP) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Ecto-5'-Nucleotidase/5`-nucleotidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075214] [GtoPdb: 1232] [UniProtKB: P21588] | ||||||||
| ChEMBL | Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method | B | 9.04 | pKi | 0.91 | nM | Ki | J Med Chem (2010) 53: 2076-2086 [PMID:20146483] |
| heat shock protein family A (Hsp70) member 5/78 kDa glucose-regulated protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781865] [GtoPdb: 3193] [UniProtKB: P11021] | ||||||||
| ChEMBL | Binding affinity to Grp78 by isothermal titration calorimetric analysis | B | 5.42 | pKd | 3830 | nM | Kd | J Med Chem (2011) 54: 4034-4041 [PMID:21526763] |
| ChEMBL | Binding affinity to histidine-tagged Grp78 by surface plasmon resonance analysis | B | 5.66 | pKd | 2170 | nM | Kd | J Med Chem (2011) 54: 4034-4041 [PMID:21526763] |
| heat shock protein family A (Hsp70) member 8/Heat shock cognate 71 kDa protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1275223] [GtoPdb: 2543] [UniProtKB: P11142] | ||||||||
| ChEMBL | Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis | B | 6.49 | pKd | 323.59 | nM | Kd | J Med Chem (2016) 59: 4625-4636 [PMID:27119979] |
| ChEMBL | Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis | B | 6.49 | pKd | 320 | nM | Kd | J Med Chem (2016) 59: 4625-4636 [PMID:27119979] |
| ChEMBL | Binding affinity to human Hsc70 by isothermal calorimetry assay | B | 6.59 | pKd | 260 | nM | Kd | J Med Chem (2010) 53: 7280-7286 [PMID:20608738] |
| Heat shock cognate 71 kDa protein in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1275213] [UniProtKB: P19120] | ||||||||
| ChEMBL | Binding affinity to bovine Hsc70 by filter binding assay | B | 6.96 | pKd | 110 | nM | Kd | J Med Chem (2010) 53: 7280-7286 [PMID:20608738] |
| TNF receptor associated protein 1/Heat shock protein 75 kDa, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075132] [GtoPdb: 2909] [UniProtKB: Q12931] | ||||||||
| ChEMBL | 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 acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay | B | 4.25 | pIC50 | 55594 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| Heat shock protein 90 beta in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4748] [UniProtKB: P41148] | ||||||||
| ChEMBL | 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 acid from dog Grp94 after 24 hrs by fluorescence polarization assay | B | 4.94 | pIC50 | 11447 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| ChEMBL | Inhibition of BODIPY-AG binding to dog Grp94 | B | 4.68 | pEC50 | 21000 | nM | EC50 | J Med Chem (2006) 49: 4606-4615 [PMID:16854066] |
| heat shock protein 90 alpha family class A member 1/Heat shock protein HSP 90-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3880] [GtoPdb: 2905] [UniProtKB: P07900] | ||||||||
| ChEMBL | 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 acid from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay | B | 4.23 | pIC50 | 59308 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| heat shock protein 90 alpha family class B member 1/Heat shock protein HSP 90-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4303] [GtoPdb: 2907] [UniProtKB: P08238] | ||||||||
| ChEMBL | 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 acid from recombinant HSP90beta (unknown origin) after 24 hrs by fluorescence polarization assay | B | 4.38 | pIC50 | 42159 | nM | IC50 | J Med Chem (2013) 56: 6803-6818 [PMID:23965125] |
| mitogen-activated protein kinase kinase kinase 7/Mitogen-activated protein kinase kinase kinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5776] [GtoPdb: 2082] [UniProtKB: O43318] | ||||||||
| ChEMBL | Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay | B | 4.2 | pKd | 63000 | nM | Kd | Bioorg Med Chem Lett (2017) 27: 1031-1036 [PMID:28109791] |
| ChEMBL | Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay | B | 5.39 | pKd | 4100 | nM | Kd | Bioorg Med Chem Lett (2017) 27: 1031-1036 [PMID:28109791] |
| P2X1/P2X purinoceptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2094] [GtoPdb: 478] [UniProtKB: P51575] | ||||||||
| ChEMBL | Antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 ) | F | 5 | pEC50 | 10000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X2/P2X purinoceptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2531] [GtoPdb: 479] [UniProtKB: Q9UBL9] | ||||||||
| ChEMBL | The compound was evaluated for antagonist activity against recombinant human receptor P2X purinoceptor 2 (P2X2 ) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X3/P2X purinoceptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2998] [GtoPdb: 480] [UniProtKB: P56373] | ||||||||
| ChEMBL | Antagonist activity against recombinant human P2X purinoceptor 3 (P2X3 ) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X4/P2X purinoceptor 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2818] [GtoPdb: 481] [UniProtKB: P51577] | ||||||||
| ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 30 uM, expressed in Xenopus oocytes | F | 4.55 | pEC50 | 28000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X5/P2X purinoceptor 5 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2495] [GtoPdb: 482] [UniProtKB: P51578] | ||||||||
| ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 5 (P2X5) | F | 4.74 | pEC50 | 18000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2X6/P2X purinoceptor 6 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2122] [GtoPdb: 483] [UniProtKB: P51579] | ||||||||
| ChEMBL | Antagonist activity against recombinant rat P2X purinoceptor 6 (P2X6 ) | F | 4.96 | pEC50 | 11000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y purinoceptor 1 in Turkey (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5720] [UniProtKB: P49652] | ||||||||
| ChEMBL | Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes | F | 5.1 | pEC50 | 8000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| ChEMBL | Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitation spectrofluorimetric analysis | F | 7 | pEC50 | 100 | nM | EC50 | Eur J Med Chem (2009) 44: 1525-1536 [PMID:18760862] |
| P2Y1 receptor/Purinergic receptor P2Y1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4315] [GtoPdb: 323] [UniProtKB: P47900] | ||||||||
| GtoPdb | - | - | 7.2 | pIC50 | - | - | - |
Br J Pharmacol (1997) 121: 338-44 [PMID:9154346]; Mol Pharmacol (2002) 62: 1249-57 [PMID:12391289] |
| ChEMBL | Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay | F | 7.62 | pEC50 | 24 | nM | EC50 | J Med Chem (2013) 56: 4938-4952 [PMID:23751098] |
| ChEMBL | Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-based fluorescence assay | F | 7.62 | pEC50 | 24 | nM | EC50 | J Med Chem (2015) 58: 8427-8443 [PMID:26447940] |
| ChEMBL | Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assay | F | 7.85 | pEC50 | 14 | nM | EC50 | J Med Chem (2010) 53: 2472-2481 [PMID:20175517] |
| P2Y11 receptor/Purinergic receptor P2Y11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4867] [GtoPdb: 327] [UniProtKB: Q96G91] | ||||||||
| ChEMBL | Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay | F | 5.77 | pEC50 | 1700 | nM | EC50 | J Med Chem (2013) 56: 4938-4952 [PMID:23751098] |
| ChEMBL | Agonist activity at GFP-tagged human P2Y11R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-based fluorescence assay | F | 5.77 | pEC50 | 1700 | nM | EC50 | J Med Chem (2015) 58: 8427-8443 [PMID:26447940] |
| P2Y12 receptor in Human [GtoPdb: 328] [UniProtKB: Q9H244] | ||||||||
| GtoPdb | - | - | 5.9 | pKi | - | - | - | Nature (2001) 409: 202-7 [PMID:11196645] |
| P2Y12 receptor/Purinergic receptor P2Y12 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2188] [GtoPdb: 328] [UniProtKB: Q9EPX4] | ||||||||
| ChEMBL | Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12) | F | 7.16 | pEC50 | 69 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y2 receptor/Purinergic receptor P2Y2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4398] [GtoPdb: 324] [UniProtKB: P41231] | ||||||||
| ChEMBL | Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2) | F | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2002) 45: 4057-4093 [PMID:12213051] |
| P2Y6 receptor/Pyrimidinergic receptor P2Y6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4714] [GtoPdb: 326] [UniProtKB: Q15077] | ||||||||
| ChEMBL | Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production | F | 4.19 | pEC50 | 65000 | nM | EC50 | J Med Chem (2006) 49: 5532-5543 [PMID:16942026] |
| GtoPdb | - | - | 4.5 | pEC50 | - | - | - | Biochem Biophys Res Commun (1996) 222: 303-8 [PMID:8670200] |
| Sensor protein kinase WalK in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295968] [UniProtKB: Q9RDT3] | ||||||||
| ChEMBL | Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-33P]-ATP by phosphorescence-based assay | B | 5.14 | pIC50 | 7189 | nM | IC50 | Bioorg Med Chem (2018) 26: 5322-5326 [PMID:29706527] |
| P2Y13 receptor in Human [GtoPdb: 329] [UniProtKB: Q9BPV8] | ||||||||
| GtoPdb | - | - | 6.5 | pIC50 | - | - | - | Mol Pharmacol (2003) 64: 104-12 [PMID:12815166] |
| TRPM4 in Human [GtoPdb: 496] [UniProtKB: Q8TD43] | ||||||||
| GtoPdb | - | - | 5.7 | pIC50 | - | - | - | Pflugers Arch (2004) 448: 70-5 [PMID:14758478] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
