ChEMBL ligand: CHEMBL175691 (Edurant, R 278474, R-278474, R278474, Rilpivirine, TMC-278, TMC278)
CYP1A2/Cytochrome P450 1A2 in Human [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177] There should be some charts here, you may need to enable JavaScript!
Kv11.1/HERG in Human [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] There should be some charts here, you may need to enable JavaScript!
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL247] [UniProtKB: Q72547] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum [ChEMBL: CHEMBL364] There should be some charts here, you may need to enable JavaScript!
Reverse transcriptase in Moloney murine leukemia virus [ChEMBL: CHEMBL4523944] [UniProtKB: Q83371] 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
CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177]
ChEMBL	Inhibition of human CYP1A2 using phenacetin as substrate in presence of NADPH incubated for 15 to 45 mins	B	5.04	pIC50	9110	nM	IC50	J Med Chem (2021) 64: 10297-10311 [PMID:34197708]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL	Inhibition of human ERG expressed in HEK293 cells by whole cell electrophysiology assay	B	6.3	pIC50	500	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of human ERG	B	6.3	pIC50	500	nM	IC50	J Med Chem (2020) 63: 1298-1312 [PMID:31935327]
Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547]
ChEMBL	Inhibition of HIV1 reverse transcriptase RNase H using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as substrate measured after 1 hr by FRET based assay	B	5	pIC50	>10000	nM	IC50	Bioorg Med Chem (2019) 27: 3595-3604 [PMID:31285097]
ChEMBL	Inhibition of HIV-1 reverse transcriptase K101P mutant by fluorescence assay	B	6	pIC50	1000	nM	IC50	ACS Med Chem Lett (2015) 6: 1075-1079 [PMID:26487915]
ChEMBL	Inhibition of HIV1 RT Y188L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.08	pIC50	84	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of HIV1 Reverse transcriptase by primer extension-based scintillation assay	B	7.38	pIC50	42	nM	IC50	Antimicrob Agents Chemother (2010) 54: 718-727 [PMID:19933797]
ChEMBL	Inhibition of HIV1 RT E138K mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.39	pIC50	41	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by substrate addition measured after 1 hr by pico-green reagent based fluorescence analysis	B	7.42	pIC50	38	nM	IC50	ACS Med Chem Lett (2021) 12: 249-255 [PMID:33603971]
ChEMBL	Inhibition of HIV1 RT K103N mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.57	pIC50	27	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of HIV1 RT L100I mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.62	pIC50	24	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of HIV1 RT K103N/Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.64	pIC50	23	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of wild type HIV1 p66/p51 reverse transcriptase using poly(rA) as template, oligo(dT)16 as primer and RNA/DNA as substrate measured after 40 mins by PICOGreen-dye based spectrofluorimetry analysis	B	7.66	pIC50	22	nM	IC50	J Med Chem (2021) 64: 13604-13621 [PMID:34496571]
ChEMBL	Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by pico-green based spectrofluorometric analysis	B	7.66	pIC50	22	nM	IC50	J Med Chem (2019) 62: 2083-2098 [PMID:30721060]
ChEMBL	Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by pico-green based spectrofluorometric analysis	B	7.66	pIC50	21.88	nM	IC50	J Med Chem (2019) 62: 2083-2098 [PMID:30721060]
ChEMBL	Inhibition of HIV1 RT Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.68	pIC50	21	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis	B	7.82	pIC50	15	nM	IC50	J Med Chem (2022) 65: 2122-2138 [PMID:35073089]
ChEMBL	Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assay	B	7.82	pIC50	15	nM	IC50	ACS Med Chem Lett (2015) 6: 1075-1079 [PMID:26487915]
ChEMBL	Inhibition of HIV1 RT V106A/F227L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.82	pIC50	15	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA	B	7.82	pIC50	15	nM	IC50	J Med Chem (2021) 64: 13658-13675 [PMID:34432448]
ChEMBL	Inhibition of HIV1 RT in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method	B	7.82	pIC50	15	nM	IC50	J Med Chem (2020) 63: 4837-4848 [PMID:32293182]
ChEMBL	Inhibition of HIV1 Reverse transcriptase polymerase assessed as decrease in digoxigenin and biotin-dUTP incorporation into DNA using poly(A)/oligo(dT)15 as template/primer by ELISA	B	9	pIC50	1	nM	IC50	Bioorg Med Chem (2019) 27: 3595-3604 [PMID:31285097]
ChEMBL	Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed by primer/template addition and measured after 30 mins by picogreen dye-based fluorescence assay	B	9.17	pIC50	0.68	nM	IC50	Bioorg Med Chem Lett (2019) 29: 2182-2188 [PMID:31281023]
ChEMBL	Inhibition of rilpivirine-resistant HIV1 NL4-3 reverse transcriptase E138K mutant infected in human TZM-b1 cells after 2 days by bright Glo-luciferase reporter gene assay	B	8.45	pEC50	3.55	nM	EC50	Bioorg Med Chem Lett (2017) 27: 2788-2792 [PMID:28465101]
ChEMBL	Inhibition of HIV RT K103N/Y181C mutant by cell based assay	B	9.1	pEC50	0.8	nM	EC50	Eur J Med Chem (2013) 65: 134-143 [PMID:23707918]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL	Antimalarial activity against Plasmodium falciparum W2mef trophozoite form by hoechst 33342-thiazole orange stain based flow cytometry assay	F	5.7	pIC50	1998	nM	IC50	Bioorg Med Chem Lett (2009) 19: 5452-5457 [PMID:19666223]
ChEMBL	Antimalarial activity against Plasmodium falciparum W2mef schizont form by hoechst 33342-thiazole orange stain based flow cytometry assay	F	5.92	pIC50	1207	nM	IC50	Bioorg Med Chem Lett (2009) 19: 5452-5457 [PMID:19666223]
ChEMBL	Antimalarial activity against Plasmodium falciparum W2mef ring form by hoechst 33342-thiazole orange stain based flow cytometry assay	F	5.92	pIC50	1197	nM	IC50	Bioorg Med Chem Lett (2009) 19: 5452-5457 [PMID:19666223]
ChEMBL	Antimalarial activity against Plasmodium falciparum W2mef assessed as DNA positive erythrocytes by hoechst 33342-thiazole orange stain based flow cytometry assay	F	5.96	pIC50	1096	nM	IC50	Bioorg Med Chem Lett (2009) 19: 5452-5457 [PMID:19666223]
Reverse transcriptase in Moloney murine leukemia virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523944] [UniProtKB: Q83371]
ChEMBL	Inhibition of Murine leukemia virus reverse transcriptase RNase H using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as substrate measured after 1 hr by FRET based assay	B	5	pIC50	>10000	nM	IC50	Bioorg Med Chem (2019) 27: 3595-3604 [PMID:31285097]

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]