ST-1535 [Ligand Id: 5613] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL197669 (St1535, ST-1535)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-K1 cells after 60 mins B 7 pKi 100 nM Ki J Med Chem (2013) 56: 5456-5463 [PMID:23789814]
ChEMBL Inhibition of human recombinant adenosine A1 receptor B 7.1 pKi 79.2 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 7.14 pKi 71.8 nM Ki J Med Chem (2005) 48: 6887-96 [PMID:16250647]
ChEMBL Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX B 7.14 pKi 71.8 nM Ki J Med Chem (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay F 7.14 pKi 71.8 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay B 7.97 pKi 10.7 nM Ki J Med Chem (2013) 56: 5456-5463 [PMID:23789814]
GtoPdb - - 8.18 pKi 6.6 nM Ki J Med Chem (2005) 48: 6887-96 [PMID:16250647]
ChEMBL Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680 B 8.18 pKi 6.6 nM Ki J Med Chem (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Binding affinity to human adenosine A2A receptor B 8.18 pKi 6.6 nM Ki J Med Chem (2008) 51: 4449-4455 [PMID:18637670]
ChEMBL Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay F 8.18 pKi 6.6 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Inhibition of human recombinant adenosine receptor A2a F 8.18 pKi 6.6 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 10 mins prior to NECA addition F 6.37 pIC50 430 nM IC50 J Med Chem (2013) 56: 5456-5463 [PMID:23789814]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 6.45 pKi 352.3 nM Ki J Med Chem (2005) 48: 6887-96 [PMID:16250647]
ChEMBL Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX B 6.45 pKi 352.3 nM Ki J Med Chem (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 6.45 pKi 352 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Inhibition of human recombinant adenosine A3 receptor B 5 pKi >10000 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 6 pKi >1000 nM Ki J Med Chem (2005) 48: 6887-96 [PMID:16250647]
ChEMBL Binding affinity towards human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA B 6 pKi >1000 nM Ki J Med Chem (2005) 48: 6887-6896 [PMID:16250647]

ChEMBL data shown on this page come from version 32:

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]