ESI-09 [Ligand Id: 7917] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3260990
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Rap guanine nucleotide exchange factor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2029197] [GtoPdb: 1292] [UniProtKB: O95398]
ChEMBL Binding affinity to human EPAC1 cAMP binding domain (149 to 318 residues) using aggregate form of compound by [15N-1H]HSQC spectroscopic analysis B 4.7 pKd 20000 nM Kd J Med Chem (2019) 62: 5063-5079 [PMID:31074269]
ChEMBL Inhibition of 8-NBD-cAMP binding to human EPAC1 cAMP binding domain (149 to 318 residues) by fluorescence assay B 4.7 pKd 20000 nM Kd J Med Chem (2019) 62: 5063-5079 [PMID:31074269]
ChEMBL Inhibition of recombinant C-terminal FLAG/HA-tagged EPAC1 (unknown origin) expressed in retrovirus infected human HeLaS3 cells assessed as reduction in cAMP-mediated guanine nucleotide exchange factor activity in presence of C-terminal truncated Rap1B (1 to 167 residues)-Mant-GDP by spectrofluorometric analysis B 4.97 pIC50 10800 nM IC50 ACS Med Chem Lett (2016) 7: 460-464 [PMID:27190593]
ChEMBL Antagonist activity at EPAC1 (unknown origin) assessed as cAMP-induced guanine nucleotide exchange factor activity B 4.97 pIC50 10800 nM IC50 J Med Chem (2015) 58: 6033-6047 [PMID:26151319]
ChEMBL Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity B 4.97 pIC50 10800 nM IC50 J Med Chem (2015) 58: 6033-6047 [PMID:26151319]
ChEMBL Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NBD-cAMP competition assay B 4.97 pIC50 10800 nM IC50 Eur J Med Chem (2017) 134: 62-71 [PMID:28399451]
ChEMBL Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange activity B 5.04 pIC50 9100 nM IC50 Bioorg Med Chem Lett (2017) 27: 5163-5166 [PMID:29100797]
GtoPdb Measuring EPAC1-mediated guanine nucleotide exchange factor (GEF) activity. - 5.49 pIC50 3200 nM IC50 Mol Pharmacol (2013) 83: 122-8 [PMID:23066090]
ChEMBL Inhibition of EPAC1 (unknown origin) B 5.49 pIC50 3200 nM IC50 Bioorg Med Chem Lett (2017) 27: 1633-1639 [PMID:28283242]
ChEMBL Inhibition of EPAC1 (unknown origin) assessed as cAMP-mediated GEF activity B 5.49 pIC50 3200 nM IC50 J Med Chem (2014) 57: 3651-3665 [PMID:24256330]
Rap guanine nucleotide exchange factor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2029198] [GtoPdb: 1293] [UniProtKB: Q8WZA2]
ChEMBL Displacement of 8-NBD-cAMP from EPAC2 (unknown origin) B 5.05 pIC50 9000 nM IC50 J Med Chem (2015) 58: 6033-6047 [PMID:26151319]
GtoPdb Measuring EPAC2-mediated guanine nucleotide exchange factor (GEF) activity. - 5.15 pIC50 7000 nM IC50 Mol Pharmacol (2013) 83: 122-8 [PMID:23066090];
J Med Chem (2014) 57: 3651-65 [PMID:24256330]
ChEMBL Displacement of 8-NBD-cAMP from EPAC2 (unknown origin) by fluorescence plate reader analysis B 5.15 pIC50 7000 nM IC50 J Med Chem (2014) 57: 3651-3665 [PMID:24256330]
ChEMBL Inhibition of EPAC2 (unknown origin) B 5.15 pIC50 7000 nM IC50 Bioorg Med Chem Lett (2017) 27: 1633-1639 [PMID:28283242]
ChEMBL Antagonist activity at EPAC2 (unknown origin) assessed as cAMP-induced guanine nucleotide exchange factor activity B 5.36 pIC50 4400 nM IC50 J Med Chem (2015) 58: 6033-6047 [PMID:26151319]
ChEMBL Inhibition of recombinant C-terminal FLAG/HA-tagged EPAC2 (unknown origin) expressed in retrovirus infected human HeLaS3 cells assessed as reduction in cAMP-mediated guanine nucleotide exchange factor activity in presence of C-terminal truncated Rap1B (1 to 167 residues)-Mant-GDP by spectrofluorometric analysis B 5.36 pIC50 4400 nM IC50 ACS Med Chem Lett (2016) 7: 460-464 [PMID:27190593]
ChEMBL Antagonist activity at recombinant full length EPAC2 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange activity B 5.36 pIC50 4400 nM IC50 Bioorg Med Chem Lett (2017) 27: 5163-5166 [PMID:29100797]
Rap guanine nucleotide exchange factor 4 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3593151] [GtoPdb: 1293] [UniProtKB: Q9EQZ6]
ChEMBL Displacement of 8-NBD-cAMP from mouse recombinant EPAC2 by fluorescence assay B 5.05 pIC50 8900 nM IC50 J Med Chem (2015) 58: 6033-6047 [PMID:26151319]
ChEMBL Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NBD-cAMP competition assay B 5.36 pIC50 4400 nM IC50 Eur J Med Chem (2017) 134: 62-71 [PMID:28399451]
Serum albumin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3253] [UniProtKB: P02768]
ChEMBL Displacement of dansylated arginine from human serum albumin by fluorescence assay B 6.64 pKd 230 nM Kd J Med Chem (2019) 62: 5063-5079 [PMID:31074269]
ChEMBL Displacement of dansylated phenylalanine from human serum albumin by fluorescence assay B 7 pKd 99 nM Kd J Med Chem (2019) 62: 5063-5079 [PMID:31074269]

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]