Cl-amidine [Ligand Id: 8685] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1962361 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| peptidyl arginine deiminase 4/Protein-arginine deiminase type-4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6111] [GtoPdb: 2877] [UniProtKB: Q9UM07] | ||||||||
| ChEMBL | Inhibition of PAD4 (unknown origin) | B | 5.23 | pIC50 | 5900 | nM | IC50 | ACS Med Chem Lett (2013) 4: 249-253 [PMID:24900657] |
| Protein-arginine deiminase type-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3638347] [UniProtKB: Q6TGC4] | ||||||||
| ChEMBL | Colorimetric Assay: The inhibition efficacy of PAD4 inhibitors were determined by colorimetric measurement of citrulline generated by PAD4 catalyzed citrullination of BAEE. 0.2 μg PAD4 was pre-incubated with inhibitors in 100 μl buffer containing 50 mM Tris-HCl pH7.6, 5 mM CaCl2, 2 mM DTT for 0.5 hr at 37°C. The reaction was started by the addition of BAEE to 5 mM and halted 1.5 hr later with the addition of 25 μl 5 M HClO4. Then the samples were briefly centrifuged at 12000 rpm for 2 min at 4°C. and the supernatant (120 μl) were assayed for citrulline by mixing with 120 μl reagent A (0.5% w/v diacetyl monoxime and 15% w/v NaCl in water) and 240 μl reagent B (1% w/v antipyrine, 0.15% w/v ferric chloride, 25% v/v H2SO4 and 25% v/v H3PO4). The mixtures were boiled for 15 min and cooled to room temperature in ice bath. The absorbance of the reagent mixtures at 464 nm was measured by Thermo BioMate 3 spectrophotometer. | B | 4.9 | pIC50 | 12500 | nM | IC50 | US-8969333-B2. Therapeutic compositions and methods (2015) |
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]
