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ChEMBL ligand: CHEMBL1342 (.gamma.-hydroxybutyrate, Gamma hydroxybutyrate, Gamma-hydroxybutyrate, Oxybate, Xyrem) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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calcium/calmodulin-dependent protein kinase II alpha subunit/CaM kinase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4147] [GtoPdb: 1555] [UniProtKB: Q9UQM7] | ||||||||
ChEMBL | Inhibition of [3H]NCS-382 binding to CaMK2alpha (unknown origin) | B | 5.37 | pKi | 4300 | nM | Ki | J Med Chem (2022) 65: 6656-6676 [PMID:35500061] |
calcium/calmodulin-dependent protein kinase II alpha subunit/CaM kinase II alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2359] [GtoPdb: 1555] [UniProtKB: P11275] | ||||||||
ChEMBL | Displacement of [3H]HOCPCA from recombinant rat CaMK2alpha expressed in HEK293T cells measured after 1 hr by liquid scintillation counting method | B | 4.29 | pKi | 51000 | nM | Ki | J Med Chem (2022) 65: 15066-15084 [PMID:36346645] |
ChEMBL | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method | B | 5.37 | pKi | 4300 | nM | Ki | J Med Chem (2022) 65: 15066-15084 [PMID:36346645] |
ChEMBL | Displacement of [3H]HOCPCA from native CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method | B | 5.52 | pKi | 3000 | nM | Ki | J Med Chem (2022) 65: 15066-15084 [PMID:36346645] |
GABAA receptor π subunit/GABAA receptor β1 subunit/GABAA receptor δ subunit/GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor γ1 subunit/GABAA receptor α2 subunit/GABAA receptor α4 subunit/GABAA receptor γ3 subunit/GABAA receptor α6 subunit/GABAA receptor α1 subunit/GABAA receptor β3 subunit/GABAA receptor β2 subunit/GABAA receptor ε subunit/GABA-A receptor; anion channel in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907607] [GtoPdb: 419, 410, 416, 414, 408, 406, 413, 405, 407, 415, 409, 404, 412, 411, 417] [UniProtKB: O09028, P15431, P18506, P18508, P19969, P20236, P23574, P23576, P28471, P28473, P30191, P62813, P63079, P63138, Q91ZM7, Q9ES14] | ||||||||
ChEMBL | Displacement of [3H]NCS-382 from high-affinity GHB binding site of GABA(A) receptor in Sprague-Dawley rat cortical synaptic membranes by liquid scintillation counting | B | 5.37 | pKi | 4300 | nM | Ki | J Med Chem (2019) 62: 2798-2813 [PMID:30763084] |
Gamma-hydroxybutyrate receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3558] [UniProtKB: Q6RY99] | ||||||||
ChEMBL | Displacement of [3H]NCS-382 (16 nM) from GHB receptor of rat cerebrocortical membranes | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3201-3202 [PMID:15927467] |
ChEMBL | Binding affinity towards [3H]GHB binding site | B | 5.18 | pIC50 | 6600 | nM | IC50 | J Med Chem (1988) 31: 893-897 [PMID:3361576] |
Proton-coupled Amino acid Transporter 1/Proton-coupled amino acid transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914279] [GtoPdb: 1161] [UniProtKB: Q7Z2H8] | ||||||||
ChEMBL | Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting | B | 1.81 | pKi | -1.81 | mM | pKi | Bioorg Med Chem (2011) 19: 6409-6418 [PMID:21955456] |
HCA1 receptor in Human [GtoPdb: 311] [UniProtKB: Q9BXC0] | ||||||||
GtoPdb | - | - | 1.82 | pEC50 | 15300000 | nM | EC50 | J Biol Chem (2009) 284: 2811-22 [PMID:19047060] |
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]