ChEMBL ligand: CHEMBL563 (Ansaid, BTS 18,322, BTS-18322, Cebutid, Flubiprofen, Flurbiprofen, Flurbiprofene, Flurbiprofeno, Froben, Froben sr, NSC-757037, Strefen, Transact, U-27,182, U-27182)
aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] There should be some charts here, you may need to enable JavaScript!
Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218] There should be some charts here, you may need to enable JavaScript!
Aldo-keto reductase family 1 member C1 in Human [ChEMBL: CHEMBL5905] [UniProtKB: Q04828] There should be some charts here, you may need to enable JavaScript!
Aldo-keto reductase family 1 member C2 in Human [ChEMBL: CHEMBL5847] [UniProtKB: P52895] There should be some charts here, you may need to enable JavaScript!
AKR1C3/Aldo-keto reductase family 1 member C3 in Human [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330] There should be some charts here, you may need to enable JavaScript!
Aldo-keto reductase family 1 member C4 in Human [ChEMBL: CHEMBL4999] [UniProtKB: P17516] There should be some charts here, you may need to enable JavaScript!
Fatty acid amide hydrolase/Fatty-acid amide hydrolase 1 in Human [ChEMBL: CHEMBL2243] [GtoPdb: 1400] [UniProtKB: O00519] Fatty acid amide hydrolase/Fatty-acid amide hydrolase 1 in Rat [ChEMBL: CHEMBL3229] [GtoPdb: 1400] [UniProtKB: P97612] There should be some charts here, you may need to enable JavaScript!
fatty acid binding protein 2/Fatty acid-binding protein, intestinal in Human [ChEMBL: CHEMBL4879] [GtoPdb: 2532] [UniProtKB: P12104] There should be some charts here, you may need to enable JavaScript!
fatty acid binding protein 1/Fatty acid-binding protein, liver in Rat [ChEMBL: CHEMBL5738] [GtoPdb: 2531] [UniProtKB: P02692] There should be some charts here, you may need to enable JavaScript!
COX-1 /Prostaglandin G/H synthase 1 in Human [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] Prostaglandin G/H synthase 1 in Sheep [ChEMBL: CHEMBL2949] [UniProtKB: P05979] COX-1 /Prostaglandin G/H synthase 1 in Rat [ChEMBL: CHEMBL4042] [GtoPdb: 1375] [UniProtKB: Q63921] There should be some charts here, you may need to enable JavaScript!
COX-2 /Prostaglandin G/H synthase 2 in Human [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] COX-2 /Prostaglandin G/H synthase 2 in Mouse [ChEMBL: CHEMBL4321] [GtoPdb: 1376] [UniProtKB: Q05769] There should be some charts here, you may need to enable JavaScript!
Organic anion transporter 1/Solute carrier family 22 member 6 in Human [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8] There should be some charts here, you may need to enable JavaScript!
ASIC1 in Rat [GtoPdb: 684] [UniProtKB: P55926] There should be some charts here, you may need to enable JavaScript!
Proton-coupled Amino acid Transporter 1 in Human [GtoPdb: 1161] [UniProtKB: Q7Z2H8] 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
aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL	Inhibition of AKR1B1 (unknown origin) transfected in Escherichia coli BL21 (DE3) pLysS competent cells using pyridine-3-aldehyde as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 9537-9560 [PMID:37409679]
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
ChEMBL	Inhibition of AKR1B10 (unknown origin) transfected in Escherichia coli BL21 (DE3) pLysS competent cells using pyridine-3-aldehyde as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 9537-9560 [PMID:37409679]
Aldo-keto reductase family 1 member C1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5905] [UniProtKB: Q04828]
ChEMBL	Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis	B	4	pIC50	>100000	nM	IC50	J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL	Inhibition of human recombinant AKR1C1 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay	B	5.69	pIC50	2050	nM	IC50	J Med Chem (2023) 66: 9537-9560 [PMID:37409679]
Aldo-keto reductase family 1 member C2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5847] [UniProtKB: P52895]
ChEMBL	Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis	B	4.49	pIC50	32500	nM	IC50	J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL	Inhibition of human recombinant AKR1C2 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay	B	6.26	pIC50	550	nM	IC50	J Med Chem (2023) 66: 9537-9560 [PMID:37409679]
AKR1C3/Aldo-keto reductase family 1 member C3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330]
ChEMBL	Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis	B	5.81	pIC50	1560	nM	IC50	J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL	Inhibition of human recombinant AKR1C3 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay	B	6.34	pIC50	460	nM	IC50	J Med Chem (2023) 66: 9537-9560 [PMID:37409679]
Aldo-keto reductase family 1 member C4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4999] [UniProtKB: P17516]
ChEMBL	Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis	B	4	pIC50	>100000	nM	IC50	J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL	Inhibition of human recombinant AKR1C4 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay	B	5.53	pIC50	2980	nM	IC50	J Med Chem (2023) 66: 9537-9560 [PMID:37409679]
Fatty acid amide hydrolase/Fatty-acid amide hydrolase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2243] [GtoPdb: 1400] [UniProtKB: O00519]
ChEMBL	In Vitro Human FAAH Fluorescent Assay: Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen/strep, 1% glutamine and 500 μg/mL G418. To obtain membrane preparation cells were scraped off with cold phosphate-buffered saline (PBS) and collected by centrifugation (500×g, 10 minutes, 4° C.); the cell pellet was re-suspended in 20 mM Tris-HCl pH 7.4, 0.32 M sucrose, disrupted by sonication (10 pulses, 5 times) and centrifuged (800×g, 15 minutes, 4° C.); the collected supernatant was centrifuged at 105,000×g for 1 h at 4° C. and the pellet was re-suspended in PBS.The fluorescent assay to measure FAAH activity was performed in 96 wells black plates: 2.5 μg of human FAAH-1 membrane preparation were pre-incubated for 50 minutes at 37° C., in 180 μL of assay buffer (50 mM TrisHCl pH 7.4, 0.05% Fatty acid-free BSA) with 10 μL of inhibitor or 10 μL DMSO to measure FAAH total activity. The background (no activity) samples were prepared using 180 μL of assay buffer without human FAAH-1 and 10 μL of DMSO. The reaction was then started by the addition of 10 μL of substrate (AMC arachidonyl amide, N. 10005098, Cayman Chemical) dissolved in ethanol and used at a final concentration of 2 μM. The reaction was carried out for 30 minutes at 37° C. and fluorescence was measured with a Tecan Infinite M200 nanoquant plate reader (excitation wavelength 350 nm/emission wavelength 460 nm).	B	4	pIC50	>100000	nM	IC50	US-9630914-B2. Multitarget FAAH and COX inhibitors and therapeutical uses thereof (2017)
Fatty acid amide hydrolase/Fatty-acid amide hydrolase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3229] [GtoPdb: 1400] [UniProtKB: P97612]
ChEMBL	Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liquid scintillation counting	B	4	pIC50	>100000	nM	IC50	Eur J Med Chem (2016) 109: 216-237 [PMID:26774927]
fatty acid binding protein 2/Fatty acid-binding protein, intestinal in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4879] [GtoPdb: 2532] [UniProtKB: P12104]
ChEMBL	Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP	B	4.59	pKi	26000	nM	Ki	J Med Chem (2008) 51: 3755-3764 [PMID:18533710]
fatty acid binding protein 1/Fatty acid-binding protein, liver in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5738] [GtoPdb: 2531] [UniProtKB: P02692]
ChEMBL	Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay	B	5.93	pKi	1180	nM	Ki	J Med Chem (2008) 51: 3755-3764 [PMID:18533710]
COX-1 /Prostaglandin G/H synthase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL	Inhibition of COX-1 (unknown origin)	B	5.7	pIC50	1995.26	nM	IC50	Bioorg Med Chem (2017) 25: 316-326 [PMID:27842798]
GtoPdb	-	-	7.12	pIC50	75	nM	IC50	Proc Natl Acad Sci USA (1999) 96: 7563-8 [PMID:10377455]
ChEMBL	DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)	B	7.68	pIC50	21	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Inhibition of COX1	B	8	pIC50	10	nM	IC50	J Med Chem (2007) 50: 1425-1441 [PMID:17341061]
Prostaglandin G/H synthase 1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
ChEMBL	Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated	B	6	pKi	1000	nM	Ki	Bioorg Med Chem Lett (2004) 14: 667-671 [PMID:14741265]
ChEMBL	Inhibition of ovine COX1	B	6.3	pIC50	500	nM	IC50	Bioorg Med Chem (2010) 18: 2204-2218 [PMID:20188577]
ChEMBL	Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substrate by enzyme immunoassay	B	6.82	pIC50	150	nM	IC50	Eur J Med Chem (2016) 109: 216-237 [PMID:26774927]
ChEMBL	Reversible competitive inhibition of prostaglandin G/H synthase 1	B	7.92	pIC50	12	nM	IC50	Bioorg Med Chem Lett (2004) 14: 667-671 [PMID:14741265]
ChEMBL	In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep	B	7.96	pIC50	11	nM	IC50	Bioorg Med Chem Lett (1999) 9: 307-312 [PMID:10091674]
COX-1 /Prostaglandin G/H synthase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4042] [GtoPdb: 1375] [UniProtKB: Q63921]
ChEMBL	Concentration required to inhibit cyclooxygenase-1 in rat blood	B	6.77	pIC50	170	nM	IC50	J Med Chem (2005) 48: 5705-5720 [PMID:16134939]
COX-2 /Prostaglandin G/H synthase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
ChEMBL	Inhibition of COX-2 (unknown origin)	B	5.7	pIC50	1995.26	nM	IC50	Bioorg Med Chem (2017) 25: 316-326 [PMID:27842798]
ChEMBL	Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substrate by enzyme immunoassay	B	5.97	pIC50	1060	nM	IC50	Eur J Med Chem (2016) 109: 216-237 [PMID:26774927]
ChEMBL	In Vitro COX Assay: COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and human recombinant COX-2 enzymes. Inhibitors were pre-incubated with either ovine COX-1 or human COX-2 in order to screen isozyme-specific inhibition. Differently than described in the kit protocol, the reaction was carried out in the presence of 5 μM arachidonic acid while for the blank sample (no activity) the two enzymes were inactivated for 40 minutes at 100° C. It was then measured the amount of PGF2α produced by reduction with SnCl2 of COX-derived PGH2, via enzyme immunoassay (EIA) using a PG-specific antibody and competing with a PG-acetylcholinesterase conjugate.Absorbance was measured at 412 nm with a Tecan Infinite M200 plate reader and data were processed according to manufacturer's instructions.	B	5.98	pIC50	1040	nM	IC50	US-9630914-B2. Multitarget FAAH and COX inhibitors and therapeutical uses thereof (2017)
ChEMBL	DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)	B	6.44	pIC50	359	nM	IC50	DrugMatrix in vitro pharmacology data
GtoPdb	-	-	8	pIC50	10	nM	IC50	Bioorg Med Chem Lett (1999) 9: 307-12 [PMID:10091674]
ChEMBL	In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human	B	8	pIC50	10	nM	IC50	Bioorg Med Chem Lett (1999) 9: 307-312 [PMID:10091674]
ChEMBL	Inhibition of COX2	B	8	pIC50	10	nM	IC50	J Med Chem (2007) 50: 1425-1441 [PMID:17341061]
COX-2 /Prostaglandin G/H synthase 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4321] [GtoPdb: 1376] [UniProtKB: Q05769]
ChEMBL	Inhibition of mouse COX2	B	6.3	pIC50	500	nM	IC50	Bioorg Med Chem (2010) 18: 2204-2218 [PMID:20188577]
Organic anion transporter 1/Solute carrier family 22 member 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8]
ChEMBL	TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells	F	5.82	pIC50	1500	nM	IC50	J Pharmacol Exp Ther (2000) 295: 10-15 [PMID:10991954]
ASIC1 in Rat [GtoPdb: 684] [UniProtKB: P55926]
GtoPdb	-	-	3.5	pIC50	350000	nM	IC50	J Neurosci (2001) 21: 8026-33 [PMID:11588175]
Proton-coupled Amino acid Transporter 1 in Human [GtoPdb: 1161] [UniProtKB: Q7Z2H8]
GtoPdb	-	-	3.55	pIC50	280000	nM	IC50	Pharmaceutics (2025) 17: [PMID:39861697]

ChEMBL data shown on this page come from version 36:

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]