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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
