compound 2 [PMID: 28621538] [Ligand Id: 11282] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL3683753
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
complement factor D/Complement factor D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2176771] [GtoPdb: 2842] [UniProtKB: P00746]
ChEMBL Inhibition of complement factor D in human whole blood assessed as decrease in zymosan-induced AP activation mediated soluble MAC complex formation preincubated for 15 mins followed by zymosan addition measured after 40 mins by ELISA B 7.96 pIC50 11 nM IC50 J Med Chem (2017) 60: 5717-5735 [PMID:28621538]
ChEMBL In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 μM and 25 μM, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. IC50 values are calculated from percentage of inhibition of complement factor D-activity as a function of test compound concentration. B 8.05 pIC50 9 nM IC50 US-9085555-B2. Complement pathway modulators and uses thereof (2015)
GtoPdb Measuring inhibition of recombinant human complement FD catalytic domain, using a thioesterolysis-based assay with Z-Lys-thiobenzylester as the substrate. - 8.22 pIC50 6 nM IC50 J Med Chem (2017) 60: 5717-5735 [PMID:28621538]
ChEMBL Inhibition of recombinant human complement factor D catalytic domain using Z-Lys-thiobenzylester as substrate preincubated for 1 hr followed by substrate addition by 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorecein probe based spectrofluorimetric assay B 8.3 pIC50 5 nM IC50 J Med Chem (2017) 60: 5717-5735 [PMID:28621538]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of dofetilide binding to human ERG B 4.52 pIC50 >30000 nM IC50 J Med Chem (2017) 60: 5717-5735 [PMID:28621538]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]