flufenamic acid [Ligand Id: 2447] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL23588 (Acide flufenamique, Acido flufenamico, CI 440, CI-440, CN-27,554, CN-27554, Flufenamate, Flufenamic acid, INF-1837, Meralen, NSC-219007, NSC-82699)
  • Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
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  • Aldo-keto reductase family 1 member C1 in Human [ChEMBL: CHEMBL5905] [UniProtKB: Q04828]
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  • Aldo-keto reductase family 1 member C2 in Human [ChEMBL: CHEMBL5847] [UniProtKB: P52895]
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  • AKR1C3/Aldo-keto-reductase family 1 member C3 in Human [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330]
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  • Aldo-keto reductase family 1 member C4 in Human [ChEMBL: CHEMBL4999] [UniProtKB: P17516]
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  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
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  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
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  • Cytochrome c oxidase subunit 2 in Human [ChEMBL: CHEMBL6174] [UniProtKB: P00403]
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  • K2P18.1/Potassium channel subfamily K member 18 in Human [ChEMBL: CHEMBL2331042] [GtoPdb: 527] [UniProtKB: Q7Z418]
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  • K2P2.1/Potassium channel subfamily K member 2 in Human [ChEMBL: CHEMBL2321615] [GtoPdb: 514] [UniProtKB: O95069]
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  • TEA domain transcription factor 4/Transcriptional enhancer factor TEF-3 in Human [ChEMBL: CHEMBL4295828] [GtoPdb: 3243] [UniProtKB: Q15561]
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  • TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
  • TRPA1 in Rat [GtoPdb: 485] [UniProtKB: Q6RI86]
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  • TRPM2/Transient receptor potential cation channel subfamily M member 2 in Human [ChEMBL: CHEMBL1250402] [GtoPdb: 494] [UniProtKB: O94759]
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  • KNa1.2 in Human [GtoPdb: 386] [UniProtKB: Q6UVM3]
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  • TRPM4 in Mouse [GtoPdb: 496] [UniProtKB: Q7TN37]
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  • TRPM5 in Human [GtoPdb: 497] [UniProtKB: Q9NZQ8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
ChEMBL Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method B 4.02 pIC50 96000 nM IC50 J Nat Prod (2015) 78: 2666-2674 [PMID:26529431]
ChEMBL Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction by spectrophotometry B 6.12 pIC50 760 nM IC50 J Med Chem (2015) 58: 2047-2067 [PMID:25375908]
ChEMBL Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells by pyridine-3-aldehyde reductase activity assay B 6.12 pIC50 760 nM IC50 J Nat Prod (2015) 78: 2666-2674 [PMID:26529431]
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 5.58 pIC50 2640 nM IC50 J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Inhibition of AKR1C1 (unknown origin) B 5.58 pIC50 2640 nM IC50 Eur J Med Chem (2013) 62: 738-744 [PMID:23454516]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 6.01 pIC50 980 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
Aldo-keto reductase family 1 member C2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5847] [UniProtKB: P52895]
ChEMBL Inhibition of AKR1C2 (unknown origin) B 5.5 pIC50 3140 nM IC50 Eur J Med Chem (2013) 62: 738-744 [PMID:23454516]
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 5.5 pIC50 3140 nM IC50 J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 6.2 pIC50 630 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrate in presence of NADP+ by fluorimetric analysis B 6.28 pIC50 530 nM IC50 Eur J Med Chem (2018) 150: 930-945 [PMID:29602039]
ChEMBL Inhibition of AKR1C2 (unknown origin) using S-tetralol as substrate by by fluorimtery B 6.28 pIC50 530 nM IC50 Eur J Med Chem (2017) 139: 936-946 [PMID:28881288]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 6.43 pIC50 370 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of AKR1C2 by fluorimetric method B 6.43 pIC50 370 nM IC50 Bioorg Med Chem Lett (2011) 21: 1464-1468 [PMID:21277203]
ChEMBL Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay B 6.43 pIC50 370 nM IC50 J Med Chem (2012) 55: 2311-2323 [PMID:22263837]
AKR1C3/Aldo-keto-reductase family 1 member C3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330]
ChEMBL Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (DE) using [14C]androstenedione as substrate in presence of NADPH generating system B 5.06 pIC50 8630 nM IC50 Eur J Med Chem (2017) 139: 936-946 [PMID:28881288]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 5.78 pIC50 1650 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrate in presence of NADP+ by fluorimetric analysis B 6.36 pIC50 440 nM IC50 Eur J Med Chem (2018) 150: 930-945 [PMID:29602039]
ChEMBL Inhibition of AKR1C3 (unknown origin) using S-tetralol as substrate in presence of NADP+ by fluorimtery B 6.36 pIC50 440 nM IC50 Eur J Med Chem (2017) 139: 936-946 [PMID:28881288]
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 6.39 pIC50 410 nM IC50 J Med Chem (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Inhibition of AKR1C3 (unknown origin) B 6.39 pIC50 410 nM IC50 Eur J Med Chem (2013) 62: 738-744 [PMID:23454516]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 7.29 pIC50 51 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of AKR1C3 by fluorimetric method B 7.29 pIC50 51 nM IC50 Bioorg Med Chem Lett (2011) 21: 1464-1468 [PMID:21277203]
ChEMBL Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay B 7.3 pIC50 50 nM IC50 J Med Chem (2012) 55: 2311-2323 [PMID:22263837]
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 AKR1C4 (unknown origin) B 4 pIC50 >100000 nM IC50 Eur J Med Chem (2013) 62: 738-744 [PMID:23454516]
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL In vitro inhibition of rabbit lens aldose reductase. B 4 pIC50 100000 nM IC50 J Med Chem (1986) 29: 2347-2351 [PMID:3097317]
ChEMBL Inhibition of human AR by fluorescence assay B 4.39 pIC50 41000 nM IC50 J Med Chem (2015) 58: 2047-2067 [PMID:25375908]
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis B 4.3 pIC50 >50000 nM IC50 J Med Chem (2011) 54: 8563-8573 [PMID:22047606]
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Inhibition of COX1 (unknown origin) B 5.52 pIC50 3000 nM IC50 Eur J Med Chem (2013) 62: 738-744 [PMID:23454516]
ChEMBL Inhibition of recombinant COX1 B 5.65 pIC50 2230 nM IC50 Bioorg Med Chem Lett (2012) 22: 3492-3497 [PMID:22507964]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 5.65 pIC50 2230 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979]
ChEMBL Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA B 4.85 pIC50 14000 nM IC50 Eur J Med Chem (2017) 139: 936-946 [PMID:28881288]
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
ChEMBL Inhibition of COX2 (unknown origin) B 5.03 pIC50 9300 nM IC50 Eur J Med Chem (2013) 62: 738-744 [PMID:23454516]
ChEMBL Inhibition of recombinant COX2 B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2012) 22: 3492-3497 [PMID:22507964]
ChEMBL Inhibition of COX2 expressed in baculovirus infected SF-21 cells assessed as formation of PGH2 from PGG2 using arachidonic acid as substrate preincubated for 5 mins B 7.8 pIC50 16 nM IC50 J Med Chem (2012) 55: 2311-2323 [PMID:22263837]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 7.8 pIC50 16 nM IC50 US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
Cytochrome c oxidase subunit 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6174] [UniProtKB: P00403]
ChEMBL Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA B 4 pIC50 >100000 nM IC50 Eur J Med Chem (2017) 139: 936-946 [PMID:28881288]
myeloperoxidase/Myeloperoxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2439] [GtoPdb: 2789] [UniProtKB: P05164]
ChEMBL Inhibition of chlorinating activity of recombinant myeloperoxidase by taurine assay B 5.74 pIC50 1800 nM IC50 Bioorg Med Chem (2008) 16: 1702-1720 [PMID:18063373]
Nicotinate phosphoribosyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523354] [UniProtKB: Q6XQN6]
ChEMBL Inhibition of NAPRT (unknown origin) B 11 pKi 0.01 nM Ki WO-2017162840-A1. Sensitization of cancer cells to nampt inhibitors by nicotinic acid phosphoribosyltransferase neutralization (2017)
K2P18.1/Potassium channel subfamily K member 18 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2331042] [GtoPdb: 527] [UniProtKB: Q7Z418]
ChEMBL Activation of human TRESK channel relative to control B 4 pEC50 >100000 nM EC50 Bioorg Med Chem Lett (2016) 26: 4919-4924 [PMID:27641472]
K2P2.1/Potassium channel subfamily K member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321615] [GtoPdb: 514] [UniProtKB: O95069]
ChEMBL Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to control B 4 pEC50 100000 nM EC50 J Med Chem (2016) 59: 5149-5157 [PMID:26588045]
TAS2R14/Taste receptor type 2 member 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3309105] [GtoPdb: 668] [UniProtKB: Q9NYV8]
ChEMBL Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 accumulation measured after 150 mins by IP1 accumulation assay B 6.37 pEC50 430 nM EC50 J Med Chem (2023) 66: 3499-3521 [PMID:36847646]
GtoPdb - - 6.62 pEC50 240 nM EC50 Cell Mol Life Sci (2020) 77: 531-542 [PMID:31236627];
Nature (2024) 631: 459-466 [PMID:38776963]
TEA domain transcription factor 4/Transcriptional enhancer factor TEF-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295828] [GtoPdb: 3243] [UniProtKB: Q15561]
ChEMBL Binding affinity to N-terminal His6 tagged human TEAD4-YBD (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by SPR analysis B 4.08 pKd 84000 nM Kd Eur J Med Chem (2019) 184: 111767-111767 [PMID:31622854]
ChEMBL Binding affinity to N-terminal His6 tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells incubated for 30 mins by isothermal Titration Calorimetry B 4.14 pKd 73000 nM Kd Eur J Med Chem (2019) 184: 111767-111767 [PMID:31622854]
ChEMBL Binding affinity to N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by ITC method B 4.14 pKd 73000 nM Kd J Med Chem (2020) 63: 11972-11989 [PMID:32907324]
ChEMBL Binding affinity to His-tagged TEAD4 YAP-binding domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry B 4.14 pKd 73000 nM Kd Eur J Med Chem (2022) 243: 114684-114684 [PMID:36063664]
ChEMBL Inhibition of N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells assessed reduction in autopalmitoylation preincubated for 2 hrs followed by palmitoyl alkyne coenzyme A addition and measured after 30 mins by immunoblot analysis B 4.27 pIC50 54000 nM IC50 Eur J Med Chem (2019) 184: 111767-111767 [PMID:31622854]
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
ChEMBL Agonist activity at human TRPA1 in WI38 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay B 4.62 pEC50 24000 nM EC50 Eur J Med Chem (2019) 170: 141-156 [PMID:30878828]
ChEMBL Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay B 5.15 pEC50 7000 nM EC50 Eur J Med Chem (2019) 170: 141-156 [PMID:30878828]
ChEMBL Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay B 5.16 pEC50 6918.31 nM EC50 Eur J Med Chem (2019) 170: 141-156 [PMID:30878828]
TRPA1 in Rat [GtoPdb: 485] [UniProtKB: Q6RI86]
GtoPdb Two electrode voltage clamp - 3.8 pEC50 - - - Pflugers Arch (2010) 459: 579-92 [PMID:19888597]
TRPM2/Transient receptor potential cation channel subfamily M member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250402] [GtoPdb: 494] [UniProtKB: O94759]
ChEMBL Inhibition of human recombinant TRPM2 B 4.15 pIC50 70000 nM IC50 J Med Chem (2013) 56: 10079-10102 [PMID:24304219]
ChEMBL Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiology B 4.15 pIC50 70000 nM IC50 J Med Chem (2021) 64: 3976-3996 [PMID:33784097]
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
ChEMBL Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopy B 7.52 pKd 30 nM Kd J Med Chem (2020) 63: 14228-14242 [PMID:32914975]
ChEMBL Inhibition of human transthyretin fibril formation at pH 4.4 after 72 hrs B 5.54 pIC50 2900 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 4808-4813 [PMID:17360344]
KNa1.2 in Human [GtoPdb: 386] [UniProtKB: Q6UVM3]
GtoPdb - - 8.85 pEC50 1.4 nM EC50 J Gen Physiol (2010) 135: 275-95 [PMID:20176855];
Mol Pharmacol (2012) 82: 795-802 [PMID:22851714]
TRPM4 in Mouse [GtoPdb: 496] [UniProtKB: Q7TN37]
GtoPdb - - 5.6 pIC50 2800 nM IC50 Cell Calcium (2005) 37: 267-78 [PMID:15670874]
TRPM5 in Human [GtoPdb: 497] [UniProtKB: Q9NZQ8]
GtoPdb - - 4.62 pIC50 24000 nM IC50

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]