ChEMBL ligand: CHEMBL175691 (Edurant, R 278474, R-278474, R278474, Rekambys, Rilpivirina, Rilpivirine, TMC-278, TMC278)
ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] There should be some charts here, you may need to enable JavaScript!
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
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux by flow cytometry	B	5.82	pIC50	1500	nM	IC50	Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
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 Reverse transcriptase incubated for 30 mins by fluorescence based analysis	B	6.8	pIC50	160	nM	IC50	J Med Chem (2023) 66: 6193-6217 [PMID:37130343]
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 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 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	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 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 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 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 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 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-1 reverse transcriptase Y188L mutant assessed as reduction in luciferase reporter activity by single-round assay	B	8.64	pEC50	2.3	nM	EC50	J Med Chem (2022) 65: 3729-3757 [PMID:35175760]
ChEMBL	Inhibition of HIV-1 reverse transcriptase Y181C mutant assessed as reduction in luciferase reporter activity by single-round assay	B	8.89	pEC50	1.3	nM	EC50	J Med Chem (2022) 65: 3729-3757 [PMID:35175760]
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]
ChEMBL	Inhibition of wild type HIV-1 reverse transcriptase assessed as reduction in luciferase reporter activity by single-round assay	B	9.4	pEC50	0.4	nM	EC50	J Med Chem (2022) 65: 3729-3757 [PMID:35175760]
ChEMBL	Inhibition of HIV-1 reverse transcriptase E138K mutant assessed as reduction in luciferase reporter activity by single-round assay	B	9.52	pEC50	0.3	nM	EC50	J Med Chem (2022) 65: 3729-3757 [PMID:35175760]
ChEMBL	Inhibition of HIV-1 reverse transcriptase K103N mutant assessed as reduction in luciferase reporter activity by single-round assay	B	9.7	pEC50	0.2	nM	EC50	J Med Chem (2022) 65: 3729-3757 [PMID:35175760]
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 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]