Metabolic pathways are enzyme-mediated biochemical reactions that lead to biosynthesis (anabolism) or breakdown (catabolism) of natural product small molecules within a cell or tissue. In each pathway, enzymes catalyze the conversion of substrates into structurally similar products. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation. Metabolism maintains the living state of the cells and the organism.

Proteases are used throughout an organism for various metabolic processes. Proteases control a great variety of physiological processes that are critical for life, including the immune response, cell cycle, cell death, wound healing, food digestion, and protein and organelle recycling. On the basis of the type of the key amino acid in the active site of the protease and the mechanism of peptide bond cleavage, proteases can be classified into six groups: cysteine, serine, threonine, glutamic acid, aspartate proteases, as well as matrix metalloproteases. Proteases can not only activate proteins such as cytokines, or inactivate them such as numerous repair proteins during apoptosis, but also expose cryptic sites, such as occurs with β-secretase during amyloid precursor protein processing, shed various transmembrane proteins such as occurs with metalloproteases and cysteine proteases, or convert receptor agonists into antagonists and vice versa such as chemokine conversions carried out by metalloproteases, dipeptidyl peptidase IV and some cathepsins. In addition to the catalytic domains, a great number of proteases contain numerous additional domains or modules that substantially increase the complexity of their functions.

Imbalances in metabolic activities have been found to be critical in a number of pathologies, such as cardiovascular diseases, inflammation, cancer, and neurodegenerative diseases.

References:
[1] Turk B, et al. EMBO J. 2012 Apr 4;31(7):1630-43.
[2] Eatemadi A, et al. Biomed Pharmacother. 2017 Feb;86:221-231.


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15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
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Teslexivir hydrochloride

Teslexivir (BTA074) hydrochloride is a potent antiviral agent. Teslexivir hydrochloride is a potent and selective inhibitor of the interaction between two essential viral proteins, E1 and E2, an association that is a necessary step in the DNA replication and thus viral production for Human Papilloma Virus (HPV) 6 and 11. Teslexivir hydrochloride can be used for condyloma research[1].

  • CAS Number: 1075281-70-7
  • MF: C35H37BrClN3O4
  • MW: 679.04
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Linagliptin

Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.

  • CAS Number: 668270-12-0
  • MF: C25H28N8O2
  • MW: 472.542
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 661.2±65.0 °C at 760 mmHg
  • Melting Point: 202ºC
  • Flash Point: 353.7±34.3 °C

PSB 06126

PSB-06126 is a selective nucleoside triphosphate diphosphohydrolase (NTPDase) inhibitor, with the Ki values of 0.33 μM for rat NTPDase 1, 19.1 μM for NTPDase 2 and 2.22 μM for NTPDase 3, respectively. PSB-06126 acts on human NTPDase 3 with an IC50 value of 7.76 μM and a Ki value of 4.39 μM[1][2].

  • CAS Number: 1052089-16-3
  • MF: C24H15N2NaO5S
  • MW: 466.44100
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PDE4-IN-4

PDE4-IN-4 is a dual M3 (pIC50 = 10.2) antagonist-PDE4 (pIC50 = 8.8) inhibitor for the inhaled treatment of pulmonary diseases.

  • CAS Number: 1793069-00-7
  • MF: C36H37Cl2N3O7S
  • MW: 726.67
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dichlorphenamide disodium

Dichlorphenamide disodium is an orally active, specific, carbonic anhydrase inhibitor. Dichlorphenamide can reduce intraocular pressure by inhibiting the secretion of water from the eye. Dichlorphenamide can be used for glaucoma research[1].

  • CAS Number: 76382-13-3
  • MF: C6H6Cl2N2Na2O4S2
  • MW: 351.14
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNF362

GNF362 is a selective, potent, and orally bioavailable inhibitor of inositol trisphosphate 3’ kinase B (Itpkb) with an IC50 of 9 nM. GNF362 also inhibits Itpka and Itpkc with IC50 values of 20 nM and 19 nM, respectively. Inositol trisphosphate 3’ kinase B (Itpkb) is a Ca2+-dependent kinase, which phosphorylates the 3’ position of Ins (1,4,5) P3 to generate inositol 1,3,4,5-tetrakisphosphate [Ins (1,3,4,5) P4][1].

  • CAS Number: 1003019-41-7
  • MF: C22H21F3N6
  • MW: 426.44
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(E)-Dehydrodiconiferyl alcohol

(E)-Dehydrodiconiferyl alcohol behaves as good hCA IX and hCA XII dual inhibitors[1]. And (E)-Dehydrodiconiferyl alcohol suppresses the NF-κB nuclear translocation in connective tissue of healing area[2].

  • CAS Number: 528814-97-3
  • MF: C20H22O6
  • MW: 358.39
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: 562.0±50.0 °C(Predicted)
  • Melting Point: 140 - 141 °C
  • Flash Point: N/A

Decapeptide-12

Decapeptide-12, a small oligopeptide, is a tyrosinase inhibitor that interacts with C-terminal residue of tyrosinase (Kd: 61.1 μM). Decapeptide-12 is a competitive inhibitor of mushroom tyrosinase (IC50: 40 µM). Decapeptide-12 also increases transcription of SIRT. Decapeptide-12 reduces melanin content in melanocytes. Decapeptide-12 is used for the research of melanogenesis, senescence, inflammation [1][2][3].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ezatiostat (hydrochloride)

Ezatiostat hydrochloride is a glutathione analog inhibitor of glutathione S-transferase P1-1 (GSTP1-1).

  • CAS Number: 286942-97-0
  • MF: C27H36ClN3O6S
  • MW: 566.109
  • Catalog: Gutathione S-transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Protizinic acid

Protizinic acid is an orally active non-steroidal antiinflammatory agent with antiinflammatory and antipyretic activity. Protizinic acid inhibits phospholipase A2 (PLA2) activity, and the IC50 value is 210 μM[1][2].

  • CAS Number: 13799-03-6
  • MF: C17H17NO3S
  • MW: 315.39
  • Catalog: Phospholipase
  • Density: 1.285g/cm3
  • Boiling Point: 524.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 271.1ºC

BI8622

BI8622 is a specific inhibitor of the ubiquitin ligase HUWE1 with an IC50 of 3.1 μM[1].

  • CAS Number: 1875036-74-0
  • MF: C25H26N6O
  • MW: 426.51
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 integrase inhibitor

HIV-1 integrase inhibitor ((Z)-4-(3-(azidomethyl)phenyl)-2-hydroxy-4-oxobut-2-enoic acid) is uesful for anti-HIV.

  • CAS Number: 544467-07-4
  • MF: C11H9N3O4
  • MW: 247.20700
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bopindolol Malonate

Bopindolol ((±)-Bopindolol) malonate is an orally active antagonist of β-adrenoceptors (ARs) with partial agonist activity. Bopindolol malonate is non-selective for β1- and β2-ARs and has low affinity for β3-AR subtype. Bopindolol malonate has intrinsic sympathomimetic as well as membrane stabilizing actions, inhibits renin secretion, and interacts with 5-HT receptors. Bopindolol malonate is a prodrug of Pindolol (HY-B0982). Bopindolol malonate can be used for essential and renovascular hypertension research[1][2][3][4].

  • CAS Number: 82857-38-3
  • MF: C23H28N2O3
  • MW: 380.48000
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-06471553

PF-06471553 is a potent, selective and orally available monoacylglycerol acyltransferase 3 (MGAT3) inhibitor, with an IC50 of 92 nM.

  • CAS Number: 1808094-07-6
  • MF: C23H25N5O4S
  • MW: 467.54
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sephin-1

(E/Z)-Icerguastat ((E/Z)-Sephin1) is a selective inhibitor of the phosphatase regulatory subunit PPP1R15A (R15A). (E/Z)-Icerguastat can be used for protein misfolding diseases research[1].

  • CAS Number: 13098-73-2
  • MF: C8H9ClN4
  • MW: 196.63700
  • Catalog: Phosphatase
  • Density: 1.35g/cm3
  • Boiling Point: 374.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 180.1ºC

h-NTPDase-IN-4

h-NTPDase-IN-4 (compound 4c) is a pan-inhibitor of NTPDase with IC50s of 3.58 μM (h-NTPDase1), 10.21 μM (h-NTPDase2), 0.13 μM (h-NTPDase3), 13.57 μM (h- NTPDase8).

  • CAS Number: 2939933-09-0
  • MF: C22H8F12N2S
  • MW: 560.36
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BK-1361(cyclo(RLsKDK))

BK-1361(BK1361, cyclo-RLsKDK) is a cyclic peptide with RLsKDK (s=D-serine) that functions as a potent, selective inhibitor of ADAM8 with IC50 of 120 nM; displays no significant activity against ADAM 9, 10, 12, 17 , as well as MMP-2, -9, and -14 at 10 uM; inhibit shedding of CD23 with IC50 of 182 nM in cell-based shedding assays, reduces migration/invasion of pancreatic cancer cells and less ERK1/2 and MMP activation, causes change in cell morphology; decreases tumour burden and metastasis of implanted pancreatic tumour cells and provides improved metrics of clinical symptoms and survival in Kras(G12D)-driven mouse model of PDAC.

  • CAS Number: 1975145-82-4
  • MF: C31H57N11O9
  • MW: 727.865
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Me-indoxam

Me-Indoxam is a potent and cell-impermeable secreted phospholipase A2 (sPLA2) inhibitor[1].

  • CAS Number: 172732-62-6
  • MF: C26H22N2O5
  • MW: 442.46
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flizasertib

Flizasertib is a serine/threonine kinase inhibitor[1].

  • CAS Number: 2268739-68-8
  • MF: C15H14FN3O
  • MW: 271.29
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-(2,4-Dihydroxyphenyl)propionic acid

3-(2,4-Dihydroxyphenyl)propanoic acid (DPPacid) is a potent and competitive tyrosinase inhibitor, inhibits L-Tyrosine and DL-DOPA with an IC50 and a Ki of 3.02 μM and 11.5 μM, respectively[1].

  • CAS Number: 5631-68-5
  • MF: C9H10O4
  • MW: 182.173
  • Catalog: Tyrosinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 418.0±14.0 °C at 760 mmHg
  • Melting Point: 158-162ºC
  • Flash Point: 220.8±16.6 °C

19 alpha-Hydroxyasiatic acid

19α-Hydroxyasiatic acid, a natural triterpenoid, possesses anti-elastase activity[1].

  • CAS Number: 70868-78-9
  • MF: C30H48O6
  • MW: 504.70
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 283℃
  • Flash Point: N/A

MDL 101146

MDL 101146 is an orally active neutrophil elastase inhibitor. MDL 101146 inhibits neutrophil elastase for human with a Ki value of 25 nM. MDL 101146 can be used for the research of arthritis[1][2].

  • CAS Number: 149859-17-6
  • MF: C29H37F5N4O6
  • MW: 632.61900
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Perindopril

Perindopril is a long-acting ACE inhibitor of which is used to treat high blood pressure, heart failure or stable coronary artery disease.Target: ACEPerindopril is a long-acting ACE inhibitor. It is used to treat high blood pressure, heart failure or stable coronary artery disease in form of perindopril arginine (trade names include Coversyl, Coversum) or perindopril erbumine (trade name Aceon). According to the Australian government's Pharmaceutical Benefits Scheme website, based on data provided to the Australian Department of Health and Aging by the manufacturer, perindopril arginine and perindopril erbumine are therapeutically equivalent and may be interchanged without differences in clinical effect. However the dose prescribed to achieve the same effect will differ due to different molecular weights for the two forms. Perindopril is one of the most prescribed inhibitors of angiotensin converting enzyme, has a large evidence base, which allows to use it in patients with hypertension, diabetes mellitus type 2, coronary heart disease and chronic heart failure. In this review, the author focused on the evidence of organoprotecting properties of perindopril that lie outside lowering blood pressure.

  • CAS Number: 82834-16-0
  • MF: C19H32N2O5
  • MW: 368.468
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 537.4±45.0 °C at 760 mmHg
  • Melting Point: 100-101°C
  • Flash Point: 278.8±28.7 °C

PF-06424439

PF-06424439 is an oral, potent and selective imidazopyridine diacylglycerol acyltransferase 2 (DGAT2) inhibitor with an IC50 of 14 nM[1]. PF-06424439 is slowly reversible, time-dependent inhibitor, which inhibits DGAT2 in a noncompetitive mode with respect to the acyl-CoA substrate[2].

  • CAS Number: 1469284-78-3
  • MF: C22H26ClN7O
  • MW: 439.94
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TD-0212 TFA

TD-0212 TFA is an orally active dual pharmacology angiotensin II type 1 receptor (AT1) antagonist and neprilysin (NEP) inhibitor, with a pKi of 8.9 for AT1 and a pIC50 of 9.2 for NEP[1].

  • CAS Number: 1073549-11-7
  • MF: C30H35F4N3O6S
  • MW: 641.67
  • Catalog: Angiotensin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LXRβ agonist-3

LXRβ agonist-3 (compound 4-13) is a potent and selective LXRβ (liver X receptor β) agonist, with an EC50 of 0.095 μM. LXRβ agonist-3 efficiently inhibits U87EGFRvIII cell, with an IC50 of 3.75 μM. LXRβ agonist-3 shows antitumor activity, and can inhibit glioblastoma[1].

  • CAS Number: 2413308-63-9
  • MF: C30H33N3O6S
  • MW: 563.66
  • Catalog: LXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NEP-IN-2

NEP-IN-2 is an inhibitor of neutral endopeptidase, used in the research of proliferation in atherosclerosis, restenosis.

  • CAS Number: 145775-14-0
  • MF: C16H23NO3S2
  • MW: 341.48900
  • Catalog: Neprilysin
  • Density: 1.204g/cm3
  • Boiling Point: 603ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 318.5ºC

BAY-678 racemate

BAY-678 racemate is a racemate of BAY-678. BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC).

  • CAS Number: 675103-35-2
  • MF: C20H15F3N4O2
  • MW: 400.35
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lorundrostat

Lorundrostat is a aldosterone synthase inhibitor[1].

  • CAS Number: 1820940-17-7
  • MF: C24H33N7O2
  • MW: 451.56
  • Catalog: Mineralocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flavokawain 1i

Flavokawain 1i (DiNap) is an Hsp90 inhibitor. Flavokawain 1i (DiNap) has anti-cell proliferation activity and can be used in cancer research[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A