SB-334867 [Ligand Id: 1703] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL291536 (SB-334867) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
| ChEMBL | Binding affinity to adenosine 2A receptor (unknown origin) | B | 6.17 | pKi | 670 | nM | Ki | Bioorg Med Chem (2017) 25: 5203-5215 [PMID:28807572] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate | B | 5.84 | pIC50 | 1455 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| OX1 receptor/Orexin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5113] [GtoPdb: 321] [UniProtKB: O43613] | ||||||||
| ChEMBL | Binding affinity to human OXIR | B | 7.32 | pKi | 48 | nM | Ki | ACS Med Chem Lett (2020) 11: 2002-2009 [PMID:33062185] |
| GtoPdb | - | - | 7.4 | pKi | - | - | - | Br J Pharmacol (2009) 156: 1326-41 [PMID:19751316] |
| ChEMBL | Displacement of N6,10-rhodamine green-tagged orexin-A from human OX1 receptor expressed in CHO cells measured after 30 mins by syto62 staining based laser scanning cytometry | B | 7.74 | pKi | 18 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5809-5814 [PMID:27818110] |
| ChEMBL | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX1 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method | B | 7.8 | pKi | 15.85 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| ChEMBL | Displacement of [125I]-orexin A from human OX1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting | B | 7.85 | pKi | 14 | nM | Ki | J Med Chem (2016) 59: 8263-8275 [PMID:27546834] |
| GtoPdb | - | - | 7.9 | pKi | - | - | - |
Br J Pharmacol (2004) 141: 340-6 [PMID:14691055]; Bioorg Med Chem Lett (2001) 11: 1907-10 [PMID:11459658]; Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]; J Med Chem (2020) 63: 1528-1543 [PMID:31860301]; J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879] |
| ChEMBL | Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assay | B | 4.74 | pIC50 | 18000 | nM | IC50 | Eur J Med Chem (2019) 181: 111569-111569 [PMID:31404862] |
| ChEMBL | Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins by FLIPR assay | F | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3890-3894 [PMID:22617492] |
| OX1 receptor in Rat [GtoPdb: 321] [UniProtKB: P56718] | ||||||||
| GtoPdb | - | - | 6.84 | pKi | 144 | nM | Ki | J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879] |
| OX2 receptor/Orexin receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4792] [GtoPdb: 322] [UniProtKB: O43614] | ||||||||
| GtoPdb | - | - | 5.2 | pKi | - | - | - | Br J Pharmacol (2009) 156: 1326-41 [PMID:19751316] |
| ChEMBL | Binding affinity to human OX2R | B | 5.42 | pKi | 3781 | nM | Ki | ACS Med Chem Lett (2020) 11: 2002-2009 [PMID:33062185] |
| ChEMBL | Binding affinity to human OX2 receptor expressed in CHO cells by fluorescence assay | B | 6.08 | pKi | 835 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5809-5814 [PMID:27818110] |
| ChEMBL | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX2 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method | B | 6.2 | pKi | 630.96 | nM | Ki | J Med Chem (2020) 63: 1528-1543 [PMID:31860301] |
| GtoPdb | - | - | 6.3 | pKi | - | - | - |
Bioorg Med Chem Lett (2001) 11: 1907-10 [PMID:11459658]; Mol Pharmacol (2009) 76: 618-31 [PMID:19542319]; Br J Pharmacol (2014) 171: 351-63 [PMID:23692283]; J Pharmacol Exp Ther (2015) 352: 590-601 [PMID:25583879] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Binding affinity against 5-hydroxytryptamine 2B receptor | B | 5.4 | pKi | 3981.07 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1907-1910 [PMID:11459658] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | Binding affinity against 5-hydroxytryptamine 2C receptor | B | 5.3 | pKi | <5011.87 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1907-1910 [PMID:11459658] |
| ChEMBL | Binding affinity to 5HT2c receptor (unknown origin) | B | 5.92 | pKi | 1200 | nM | Ki | Bioorg Med Chem (2017) 25: 5203-5215 [PMID:28807572] |
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]
