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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
IMD-0354 IMD-0354 978-62-1 C15H8ClF6NO2
BAY 11-7085 BAY 11-7085 196309-76-9 C13H15NO2S
Ilomastat Ilomastat 142880-36-2 C20H28N4O4
RG108 RG108 48208-26-0 C19H14N2O4
TCS 359 TCS 359 301305-73-7 C18H20N2O4S
BI-D1870 BI-D1870 501437-28-1 C19H23F2N5O2
2-(5-Benzo[1,3]dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine  hydrate  hydrochloride 2-(5-Benzo[1,3]dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine hydrate hydrochloride 694433-59-5 C20H21N3O2
SCH772984 SCH772984 942183-80-4 C33H33N9O2
6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine 6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1E)-2-phenylethenyl]-4-pyrimidinamine 934353-76-1 C21H25N7
RO4929097 RO4929097 847925-91-1 C22H20F5N3O3
PD318088 PD318088 391210-00-7 C16H13BrF3IN2O4
Golvatinib (E7050) Golvatinib (E7050) 928037-13-2 C33H37F2N7O4
VU 0364439 VU 0364439 1246086-78-1 C18H13Cl2N3O3S
LY 2874455 LY 2874455 1254473-64-7 C21H19Cl2N5O2
N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamidehydrochloride N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamidehydrochloride 313553-47-8 C18H16N2OS
3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide 3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide 348622-88-8 C15H24N4O4
IWP-2 IWP-2 686770-61-6 C22H18N4O2S3
Hesperadin Hesperadin 422513-13-1 C29H32N4O3S
PIK-294 PIK-294 900185-02-6 C28H23N7O2
LY2090314 LY2090314 603288-22-8 C28H25FN6O3
AZD5363 AZD5363 1143532-39-1 C21H25ClN6O2
Birinapant Birinapant 1260251-31-7 C42H56F2N8O6
P-5091 P-5091 882257-11-6 C12H7Cl2NO3S2
CK-636 CK-636 442632-72-6 C16H16N2OS
SB 225002 SB 225002 182498-32-4 C13H10BrN3O4
SKI II SKI II 312636-16-1 C15H11ClN2OS
TTNPB (Arotinoid Acid) TTNPB (Arotinoid Acid) 71441-28-6 C24H28O2
Batimastat Batimastat 130370-60-4 C23H31N3O4S2
2-Propenamide, N-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)- 2-Propenamide, N-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)- 404951-53-7 C22H25N3O3
ZOTAROLIMUS ZOTAROLIMUS 221877-54-9 C52H79N5O12
2-(2-ETHYL-2,3-DIHYDRO-2-BENZOFURANYL)-1H-IMIDAZOLE 2-(2-ETHYL-2,3-DIHYDRO-2-BENZOFURANYL)-1H-IMIDAZOLE 189224-48-4 C13H14N2O
SANT-1 SANT-1 304909-07-7 C23H27N5
S3I-201 S3I-201 501919-59-1 C16H15NO7S
LY411575 LY411575 209984-57-6 C26H23F2N3O4
WZ8040 WZ8040 1214265-57-2 C24H25ClN6OS
JAK3 Inhibitor JAK3 Inhibitor 211555-04-3 C16H14BrN3O3
N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea 1144068-46-1 C27H33N7O4
Insulin-like Growth Factor-1 Receptor Inhibitor Insulin-like Growth Factor-1 Receptor Inhibitor 468740-43-4 C25H26ClN5O3
AZ 628 AZ 628 878739-06-1 C27H25N5O2
PF-562271 PF-562271 939791-38-5 C27H26F3N7O6S2
CP 945598 hydrochloride CP 945598 hydrochloride 686347-12-6 C25H26Cl3N7O
HMN-214 HMN-214 173529-46-9 C22H20N2O5S
MK8245 MK8245 1030612-90-8 C17H16BrFN6O4
5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine 5-(3-Benzyloxyphenyl)-7-[trans-3-[(pyrrolidin-1-yl)methyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine 475488-23-4 C28H31N5O
OSI-420 OSI-420 183320-51-6 C21H22ClN3O4
PKI-402 PKI-402 1173204-81-3 C29H34N10O3
VU 0357121 VU 0357121 433967-28-3 C17H17F2NO2
N-Ethyl-N'-[4-[5,6,7,8-tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(3-oxetanyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea N-Ethyl-N'-[4-[5,6,7,8-tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(3-oxetanyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea 1207360-89-1 C24H32N6O3
Nepicastat  hydrochloride Nepicastat hydrochloride 170151-24-3 C14H16ClF2N3S
BMN 673 BMN 673 1207456-01-6 C19H14F2N6O
ONX-0914 ONX-0914 960374-59-8 C31H40N4O7
PFI-1 PFI-1 1403764-72-6 C16H17N3O4S
NLG919 NLG919 1402836-58-1 C18H22N2O
indoleaMine-2,3-dioxygenase inhibitor INCB024360 indoleaMine-2,3-dioxygenase inhibitor INCB024360 914471-09-3 C9H7ClFN5O2
Tezacaftor Tezacaftor 1152311-62-0 C26H27F3N2O6
Ciproxifan Ciproxifan 184025-18-1 C16H18N2O2
BRL 54443 BRL 54443 57477-39-1 C14H18N2O
Marimastat Marimastat 154039-60-8 C15H29N3O5
Zibotentan (ZD4054) Zibotentan (ZD4054) 186497-07-4 C19H16N6O4S
2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO- 2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO- 252935-94-7 C20H17Cl2N9O2
ICG-001 ICG-001 780757-88-2 C33H32N4O4
 Nutlin 3a Nutlin 3a 675576-98-4 C30H30Cl2N4O4
Galeterone Galeterone 851983-85-2 C26H32N2O
R788(Fostamatinib disodium) R788(Fostamatinib disodium) 1025687-58-4 C23H27FN6NaO9P
AVP-AEW541 AVP-AEW541 475489-16-8 C27H29N5O
CHIR-124 CHIR-124 405168-58-3 C23H22ClN5O
Erteberel (LY500307) Erteberel (LY500307) 533884-09-2 C18H18O3
Onalespib Onalespib 912999-49-6 C24H31N3O3
4SC-201 4SC-201 864814-88-0 C16H19N3O4S
TAE226 (NVP-TAE226) TAE226 (NVP-TAE226) 761437-28-9 C23H25ClN6O3
Tenovin-6 Tenovin-6 1011557-82-6 C25H34N4O2S
BMS-265246 BMS-265246 582315-72-8 C18H17F2N3O2
PF-3758309 PF-3758309 898044-15-0 C25H30N8OS
AZD3514 AZD3514 1240299-33-5 C25H32F3N7O2
KPT-185 KPT-185 1333151-73-7 C16H16F3N3O3
ALK/IGF1R inhibitor ALK/IGF1R inhibitor 1356962-20-3 C24H25ClN6O
Ribociclib Ribociclib 1211441-98-3 C23H30N8O
GLPG0634 GLPG0634 1206101-20-3 C23H18N6O2
WH-4-023 WH-4-023 837422-57-8 C32H36N6O4
PJ-34 PJ-34 344458-19-1 C17H17N3O2
Pifithrin-μ Pifithrin-μ 64984-31-2 C8H7NO2S
ZM 306416 ZM 306416 690206-97-4 C16H13ClFN3O2
Alizapride hydrochloride Alizapride hydrochloride 59338-87-3 C16H22ClN5O2
Dexmedetomidine Dexmedetomidine 113775-47-6 C13H16N2
TPCA-1 TPCA-1 507475-17-4 C12H10FN3O2S
GW0742 GW0742 317318-84-6 C21H17F4NO3S2
3-[(2,4-Dimethylpyrrol-5-yl)methylidenyl]-2-indolinon 3-[(2,4-Dimethylpyrrol-5-yl)methylidenyl]-2-indolinon 194413-58-6 C15H14N2O
SL 327 SL 327 305350-87-2 C16H12F3N3S
5-chloro-3-ethyl-1H-indole-2-carboxylic  acid  [2-(4-piperidin-1-yl-phenyl)-ethyl]-amide 5-chloro-3-ethyl-1H-indole-2-carboxylic acid [2-(4-piperidin-1-yl-phenyl)-ethyl]-amide 868273-06-7 C24H28ClN3O
N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide 717906-29-1 C22H21F3N6O3S
5-(2-Oxo-2-phenylethoxy)-3,4-dihydroisoquinolin-1(2H)-one 5-(2-Oxo-2-phenylethoxy)-3,4-dihydroisoquinolin-1(2H)-one 1048371-03-4 C17H13NO3
1-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-pyrrolidinyl)ethanone 1-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-pyrrolidinyl)ethanone 314245-33-5 C18H21FN2O
R406 R406 841290-81-1 C28H29FN6O8S
A66 A66 1166227-08-2 C17H23N5O2S2
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine 6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine 873436-91-0 C18H21IN6O2S
AMG-208 AMG-208 1002304-34-8 C22H17N5O2
KRN 633 KRN 633 286370-15-8 C20H21ClN4O4
TAK-733 TAK-733 1035555-63-5 C17H15F2IN4O4
GSK 525762A GSK 525762A 1260907-17-2 C22H22ClN5O2
PI3K/HDAC Inhibitor PI3K/HDAC Inhibitor 1339928-25-4 C23H24N8O4S
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