riboflavin [Ligand Id: 6578] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1534 (Bisulase, C.i. 50900, C.i. food yellow 15, E101, E-101(iii), E-b2, Freeda, Ins-101(iii), INS NO. 101(I), Ins no.101(iii), Lacto-flavin, Lactoflavin, NCI-0033298, NSC-33298, Riboflavin, Riboflavina, Riboflavine, Riboflavin tetrabutyrate, Riboflavinum, Riboflavin (vit b2), Russupteridine yellow iii, Vitamin b-2, Vitamin b2, Vitamin-b2, Vitamin B 2, Vitamin b2 (as riboflavin), Vitamin g, Vitamin G) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis | B | 4.74 | pIC50 | 18000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| histone acetyltransferase 1/HAT1/Rbap46 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL5465253] [GtoPdb: 2657] [UniProtKB: O14929, Q16576] | ||||||||
| ChEMBL | Inhibition of C-terminal FLAG tagged full length human HAT1/Rbap46 transfected in HEK293F cells using histone H4 peptide as substrate and 4-pentynoyl-CoA as cofactor preincubated for 10 mins followed by 4-pentynoyl-CoA addition and measured after 1 hr by amplex red dye based fluorescence analysis | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2023) 66: 5774-5801 [PMID:37027002] |
| HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
| ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| Riboflavin-binding protein in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944489] [UniProtKB: P02752] | ||||||||
| ChEMBL | Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 4 in 0.1 M NaAc by isothermal titration calorimetric assay | B | 7.34 | pKd | 46 | nM | Kd | ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082] |
| ChEMBL | Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 9 in 0.1 M Tris by isothermal titration calorimetric assay | B | 7.47 | pKd | 34 | nM | Kd | ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082] |
| ChEMBL | Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in 0.1 M phosphate buffer by isothermal titration calorimetric assay | B | 8.18 | pKd | 6.6 | nM | Kd | ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082] |
| ChEMBL | Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay | B | 8.3 | pKd | 5 | nM | Kd | ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082] |
| ChEMBL | Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay | B | 6.46 | pKi | 350 | nM | Ki | ACS Med Chem Lett (2011) 2: 363-367 [PMID:21686082] |
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]
