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Inhibitors

Inhibitor refers to substance that can hinder the chemical reactions, biological reactions (including immune response) and biological activity. In present time, commonly used inhibitors include immunosuppressants and inhibitors.

1. Immunosuppressive agents: immunosuppressants system refers to drug that can reduce the immune response. It can selectively suppress certain steps of the immune response and immune cells. Immune response refers to the body’s response to a variety of pathogenic substances. Some reactions are favorable to the body and can enhance the body's resistance to disease; some have adverse effects on the body and can cause tissue damage or disorders of physiological functions (allergy). Therefore, patients suffering from allergic reactions being harmful to the body should be subject to the treatment of immunosuppressant to affect the related immune processes and reduce the immune response of the body.

For the treatment of various autoimmune diseases and weakening the tissue incompatibility, it has been developed of a variety of immunosuppressive agents, some of which have been widely used in clinical practice. Commonly used immunosuppressants include glucocorticoids (prednisone, prednisolone, etc.), alkylating agents (nitric oxide mustard, cyclophosphamide, thiotepa, busulfan, etc.), and antimetabolites (6- mercaptopurine, azathioprine, methotrexate, etc.).

The mechanism of immunosuppressants, though not entirely clear, but is characterized by the following several aspects:
① most kinds of immunosuppressants can simultaneously inhibit cellular and humoral immunity and can be used for organ transplantation and autoimmune disease.
②Its inhibitory effect is strong for the primary immune response while the inhibitory effect against secondary response is weak.
③It can simultaneously act on normal and pathological immunity, therefore, can often lead to some complications.
④These drugs often have strong with serious adverse reactions.

2. Enzyme inhibitors: Enzyme inhibitors refer to compounds or drugs being capable of binding to enzyme and inhibit the enzymatic activity. It is clinically often applied of enzyme inhibitors to specially interfere with certain metabolic system to achieve the therapeutic purposes. For example, people use monoamine oxidase inhibitors as antidepressants; use carbonic anhydrase inhibitors as diuretics; use dopa decarboxylase inhibitors as antihypertensive drugs and use antibiotics such as penicillin, cephalosporins belonging to cell wall synthesis inhibitors. Enzyme inhibitors have applications in veterinary medicine and agriculture. In addition, people can also apply enzyme inhibitors to study the mechanism of the enzyme and metabolic pathways.

Enzyme inhibitors often have similar structure with their natural substrates. For designing the inhibitors according modification of natural substrate, people should first analyze and decide the function of each part of the molecule in binding with enzymes: for binding or not binding or repulsion; secondly, people should know the degree of tolerance of the binding site to the adjacent steric hindrance. Then people can replace each functional group to regulate the strength of interaction with the enzyme.

Inhibitors can be divided into reversible and irreversible, two classes. (1)Inhibitors binding with enzyme through non-covalent bonds are called reversible inhibitor. (2)Inhibitors binding to the enzyme via a covalent bond are irreversible inhibitors with strong binding affinity. They will not be affected by concentration change process such as dialysis or dilution after binding to the enzyme.

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Structure Chemical Name CAS MF
PFI-2 PFI-2 1627676-59-8 C23H25F4N3O3S
BV6 BV6 1001600-56-1 C70H96N10O8
GSK1324726A (I-BET726) GSK1324726A (I-BET726) 1300031-52-0 C25H23ClN2O3
ZM 39923 HCl ZM 39923 HCl 1021868-92-7 C23H26ClNO
BMX-IN-1 BMX-IN-1 1431525-23-3 C29H24N4O4S
NSC697923 NSC697923 343351-67-7 C11H9NO5S
MG149 MG149 1243583-85-8 C22H28O3
ARQ 621 ARQ 621 1095253-39-6 C28H24Cl2FN5O2
CAY10683 (SantacruzaMate A) CAY10683 (SantacruzaMate A) 1477949-42-0 C15H22N2O3
CH5138303 CH5138303 959763-06-5 C19H18ClN5O2S
ISRIB (trans-isoMer) ISRIB (trans-isoMer) 1597403-47-8 C22H24Cl2N2O4
Dizocilpine Dizocilpine 77086-21-6 C16H15N
SBE 13 hydrochloride SBE 13 hydrochloride 1052532-15-6 C24H28Cl2N2O4
BenzaMide, N-[4-[(4-ethyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-4-Methyl-3-[[[5-(2-thienyl)-3-pyridinyl]carbonyl]aMino]- BenzaMide, N-[4-[(4-ethyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-4-Methyl-3-[[[5-(2-thienyl)-3-pyridinyl]carbonyl]aMino]- 1186206-79-0 C32H32F3N5O2S
Olverembatinib Olverembatinib 1257628-77-5 C29H27F3N6O
GZD824 GZD824 1421783-64-3 C31H35F3N6O7S2
YH239-EE YH239-EE 1364488-67-4 C25H27Cl2N3O4
Defactinib Defactinib 1073154-85-4 C20H21F3N8O3S
K-Ras(G12C) inhibitor 9 K-Ras(G12C) inhibitor 9 1469337-91-4 C16H21ClIN3O4S
MPI-0479605 MPI-0479605 1246529-32-7 C22H29N7O
PD  125,530,  trans-(±)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol  hydrochloride PD 125,530, trans-(±)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride 112960-16-4 C14H19NO3.ClH
EW-7197 EW-7197 1352608-82-2 C22H18FN7
SAR405838 (MI-773) SAR405838 (MI-773) 1303607-60-4 C29H34Cl2FN3O3
LY2409881 trihydrochloride LY2409881 trihydrochloride 946518-60-1 C24H30Cl2N6OS
Piperazine, 1-diphenylmethyl-4-methyl-, dihydrochloride Piperazine, 1-diphenylmethyl-4-methyl-, dihydrochloride 5897-18-7 C18H24Cl2N2
PRX-08066 PRX-08066 866206-55-5 C23H21ClFN5O4S
Cerdulatinib HCl salt Cerdulatinib HCl salt 1369761-01-2 C20H28ClN7O3S
UMI-77 UMI-77 518303-20-3 C18H14BrNO5S2
LY-2584702 (tosylate salt) LY-2584702 (tosylate salt) 1082949-68-5 C28H27F4N7O3S
HIV-1 integrase inhibitor HIV-1 integrase inhibitor 544467-07-4 C11H9N3O4
UM729 UM729 1448723-60-1 C20H25N5O2
CX6258(HCL) CX6258(HCL) 1353859-00-3 C26H25Cl2N3O3
TAI-1 TAI-1 1334921-03-7 C24H21N3O3S
Cyclophosphamide-d4 Cyclophosphamide-d4 173547-45-0 C7H15Cl2N2O2P
ML 141 ML 141 71203-35-5 C22H21N3O3S
KP372-1 KP372-1 329710-24-9 C10H4N6O
GSK 2830371 GSK 2830371 1404456-53-6 C23H29ClN4O2S
ML234 ML234 1222800-79-4 C21H23N3O2
Nafamostat mesylate Nafamostat mesylate
115007-34-6 115007-34-6 115007-34-6
2H-IMidazole-2-thione, 5-(aMinoMethyl)-1-[(2R)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-, 2H-IMidazole-2-thione, 5-(aMinoMethyl)-1-[(2R)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-, 195881-94-8 C14H16ClF2N3S
ME0328 ME0328 1445251-22-8 C19H19N3O2
1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, hydrochloride (1:1) 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, hydrochloride (1:1) 198480-56-7 C30H35ClN2O3
HPOB HPOB 1429651-50-2 C17H18N2O4
BRD73954 BRD73954 1440209-96-0 C16H16N2O3
Triapine Triapine 200933-27-3 C7H9N5S
4-ThiazolecarboxaMide, N-(6-benzoyl-1H-benziMidazol-2-yl)-2-(1-thieno[3,2-d]pyriMidin-4-yl-4-piperidinyl)- 4-ThiazolecarboxaMide, N-(6-benzoyl-1H-benziMidazol-2-yl)-2-(1-thieno[3,2-d]pyriMidin-4-yl-4-piperidinyl)- 913822-46-5 C29H23N7O2S2
BIX 01294 BIX 01294 1392399-03-9 C28H41Cl3N6O2
5-(6-(3-Methoxyoxetan-3-yl)-4-Morpholinothieno[3,2-d]pyriMidin-2-yl)pyriMidin-2-aMine 5-(6-(3-Methoxyoxetan-3-yl)-4-Morpholinothieno[3,2-d]pyriMidin-2-yl)pyriMidin-2-aMine 1394076-92-6 C19H22N6O3S
K-Ras inhibitor K-Ras inhibitor 1469338-01-9 C20H30ClN3O2S3
LDN-214117 LDN-214117 1627503-67-6 C25H29N3O3
SH-4-54 SH-4-54 1456632-40-8 C29H27F5N2O5S
MHY1485 MHY1485 326914-06-1 C17H21N7O4
GSK-LSD1 GSK-LSD1 1431368-48-7 C14H20N2
KN-93 Phosphate KN-93 Phosphate 1188890-41-6 C26H32ClN2O8PS
EPZ015666 EPZ015666 1616391-65-1 C20H25N5O3
HYDROXYGUANIDINE SULFATE HYDROXYGUANIDINE SULFATE 6345-29-5 C2H12N6O6S
N-(4-Mesitylthiazol-2-yl)benzaMide N-(4-Mesitylthiazol-2-yl)benzaMide 1001753-24-7 C19H18N2OS
NMS-P937 (NMS1286937) NMS-P937 (NMS1286937) 1034616-18-6 C24H27F3N8O3
3-aMino-5-chloro-N-cyclopropyl-4-Methyl-6-(2-(4-Methylpiperazin-1-yl)-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxaMide 3-aMino-5-chloro-N-cyclopropyl-4-Methyl-6-(2-(4-Methylpiperazin-1-yl)-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxaMide 886047-22-9 C19H24ClN5O3S
Debio-1347 Debio-1347 1265229-25-1 C20H16N6O
OF-1 OF-1 919973-83-4 C17H18BrN3O4S
Liproxstatin-1 Liproxstatin-1 950455-15-9 C19H21ClN4
(R)-2-((R)-2-acetamido-3-(4-hydroxyphenyl)propanamido)-N-((R)-1-amino-1-oxo-3-phenylpropan-2-yl)-5-guanidinopentanamide (R)-2-((R)-2-acetamido-3-(4-hydroxyphenyl)propanamido)-N-((R)-1-amino-1-oxo-3-phenylpropan-2-yl)-5-guanidinopentanamide 1809784-29-9 C26H35N7O5
1-(4-(2-((4-chloro-2-hydroxy-5-iodophenyl)aMino)acetyl)piperazin-1-yl)prop-2-en-1-one 1-(4-(2-((4-chloro-2-hydroxy-5-iodophenyl)aMino)acetyl)piperazin-1-yl)prop-2-en-1-one 1469337-95-8 C15H17ClIN3O3
4SC-202 (free base) 4SC-202 (free base) 910462-43-0 C23H21N5O3S
K-Ras(G12C) inhibitor 6 K-Ras(G12C) inhibitor 6 2060530-16-5 C17H22Cl2N2O3S
(S)-2-(8-(2-(6-(methylamino)pyridin-2-yl)ethoxy)-3-oxo-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)acetic acid (S)-2-(8-(2-(6-(methylamino)pyridin-2-yl)ethoxy)-3-oxo-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)acetic acid 205678-31-5 C22H24F3N3O4
SRT2104 (GSK2245840) SRT2104 (GSK2245840) 1093403-33-8 C26H24N6O2S2
PF-562271HCl PF-562271HCl C21H21ClF3N7O3S
5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methyl-4-piperidinyl)-3-isoxazolecarboxamide 5-[2,4-Dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methyl-4-piperidinyl)-3-isoxazolecarboxamide 1253584-84-7 C22H22N4O7
Bupropion hydrochloride Bupropion hydrochloride 31677-93-7 C13H19Cl2NO
Ethyl dimorpholine Ethyl dimorpholine C10H20N2O2
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