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ChEMBL ligand: CHEMBL1534 (Bisulase, C.i. 50900, C.i. food yellow 15, E101, E-101(iii), E-b2, Flavaxin, Freeda, Ins-101(iii), INS NO. 101(I), Ins no.101(iii), Lacto-flavin, Lactoflavin, NCI-0033298, NSC-33298, Riboflavin, 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 |
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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] |
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 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]