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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
GW 842166X GW 842166X 666260-75-9 C18H17Cl2F3N4O2
Losmapimod (GW856553X) Losmapimod (GW856553X) 585543-15-3 C22H26FN3O2
SP2509 SP2509 1423715-09-6 C19H20ClN3O5S
Mycophenolate mofetil Mycophenolate mofetil 115007-34-6 C23H31NO7
SR 1078 SR 1078 1246525-60-9 C17H10F9NO2
AT-101 AT-101 866541-93-7 C32H34O10
AST-1306 AST-1306 1050500-29-2 C31H26ClFN4O5S
AT-13148 AT-13148 1056901-62-2 C17H16ClN3O
IM-12 IM-12 1129669-05-1 C22H20FN3O2
BAY 87-2243 BAY 87-2243 1227158-85-1 C26H26F3N7O2
Poziotinib (HM781-36B) Poziotinib (HM781-36B) 1092364-38-9 C23H21Cl2FN4O3
NVP-HSP990(HSP990) NVP-HSP990(HSP990) 934343-74-5 C20H18FN5O2
Droxinostat Droxinostat 99873-43-5 C11H14ClNO3
Bikinin Bikinin 188011-69-0 C9H9BrN2O3
CP 91149 CP 91149 186392-40-5 C21H21ClN3O3
1-Methyl-N-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl-1H-pyrazole-5-carboxamide 1-Methyl-N-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl-1H-pyrazole-5-carboxamide 301326-22-7 C19H19N5O
Mk-2461  . Mk-2461 . 917879-39-1 C24H25N5O5S
Mildronate dihydrate Mildronate dihydrate 86426-17-7 C6H14N2O2.2H2O
LDN-193189 HCl LDN-193189 HCl 1062368-62-0 C25H23ClN6
IPA-3 IPA-3 42521-82-4 C20H14O2S2
BMS-794833 BMS-794833 1174046-72-0 C23H15ClF2N4O3
Tirbanibulin Tirbanibulin 897016-82-9 C26H29N3O3
Vinflunine Tartrate Vinflunine Tartrate 1201898-17-0 C49H60F2N4O14
DBeQ DBeQ 177355-84-9 C22H20N4
GW791343 HCl GW791343 HCl 309712-55-8 C20H27Cl3F2N4O
TAK875 TAK875 1374598-80-7 C58H66O15S2
CNX-774 CNX-774 1202759-32-7 C26H22FN7O3
GNE 7915 GNE 7915 1351761-44-8 C19H21F4N5O3
P 22077 P 22077 1247819-59-5 C12H7F2NO3S2
AZD 9668 AZD 9668 848141-11-7 C25H22F3N5O4S
5-Carboxy-8-hydroxyquinoline 5-Carboxy-8-hydroxyquinoline 5852-78-8 C10H7NO3
PI-3065 PI-3065 955977-50-1 C27H31FN6OS
Lorlatinib Lorlatinib 1454846-35-5 C21H19FN6O2
N-(2-METHYL-6-BENZOOXAZOLYL)-N''-1,5-NAPHTHYRIDIN-4-YL UREA N-(2-METHYL-6-BENZOOXAZOLYL)-N''-1,5-NAPHTHYRIDIN-4-YL UREA 792173-99-0 C17H13N5O2
EHT1864 EHT1864 754240-09-0 C25H27F3N2O4S2HCl
6,8-Difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline 6,8-Difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline 1139889-93-2 C17H14F2N2
LRRK2-IN-1 LRRK2-IN-1 1234480-84-2 C31H38N8O3
ITF2357 ITF2357 732302-99-7 C24H30ClN3O5
TAK-700 TAK-700 426219-18-3 C18H17N3O2
WYE-687 WYE-687 1062161-90-3 C28H32N8O3
ARRY-334543 ARRY-334543 845272-21-1 C22H19ClN6O2S
Nodinitib-1 Nodinitib-1 799264-47-4 C14H13N3O2S
IKK Inhibitor III, BMS-345541 IKK Inhibitor III, BMS-345541 445430-58-0 C14H17N5
CYP3cide CYP3cide 1390637-82-7 C26H32N8
3-Cyclopentene-1,2-diol, 5-(4-aMino-1H-iMidazo[4,5-c]pyridin-1-yl)-3-(hydroxyMethyl)-, (Hydrochloride) (1:1), (1S,2R,5R)- 3-Cyclopentene-1,2-diol, 5-(4-aMino-1H-iMidazo[4,5-c]pyridin-1-yl)-3-(hydroxyMethyl)-, (Hydrochloride) (1:1), (1S,2R,5R)- 120964-45-6 C12H15ClN4O3
CEP-32496 (free base) CEP-32496 (free base) 1188910-76-0 C24H22F3N5O5
6-(2-Chloro-4-thiazol-5-yl-phenyl)-8-ethyl-2-[4-(4-Methyl-piperazin-1-yl)-phenylaMino]-8H-pyrido[2,3-d]pyriMidin-7-one 6-(2-Chloro-4-thiazol-5-yl-phenyl)-8-ethyl-2-[4-(4-Methyl-piperazin-1-yl)-phenylaMino]-8H-pyrido[2,3-d]pyriMidin-7-one 1286739-19-2 C29H28ClN7OS
Teneligliptin  Hydrobromide Teneligliptin Hydrobromide 906093-29-6 C22H31BrN6OS
KU 0060648 KU 0060648 881375-00-4 C33H34N4O4S
MS436 MS436 1395084-25-9 C18H17N5O3S
K 02288 K 02288 1431985-92-0 C20H20N2O4
ML-323 ML-323 1572414-83-5 C23H24N6
LDN212854 LDN212854 1432597-26-6 C25H22N6
SU 9516 SU 9516 377090-84-1 C13H11N3O2
6-pentadecylsalicylic acid 6-pentadecylsalicylic acid 16611-84-0 C22H36O3
2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone 571203-78-6 C30H31ClN4O4
CGS 21680A CGS 21680A 124431-80-7 C23H30ClN7O6
Tie2 kinase inhibitor Tie2 kinase inhibitor 948557-43-5 C26H21N3O2S
AKT Kinase Inhibitor AKT Kinase Inhibitor 842148-40-7 C16H19N7O3
L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoaMino]-, (Hydrochloride) (1:2) L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoaMino]-, (Hydrochloride) (1:2) 685898-44-6 C13H19Cl3N2O3
RGFP 109 RGFP 109 1215493-56-3 C20H25N3O2
Cabotegravir (GSK744, GSK1265744) Cabotegravir (GSK744, GSK1265744) 1051375-10-0 C19H17F2N3O5
Verdinexor (KPT-335) Verdinexor (KPT-335) 1392136-43-4 C18H12F6N6O
BRD4770 BRD4770 1374601-40-7 C25H23N3O3
LDC1267 LDC1267 1361030-48-9 C30H26F2N4O5
VER-49009 VER-49009 940289-57-6 C19H18ClN3O4
OG-L002 OG-L002 1357302-64-7 C15H15NO
Selinexor Selinexor 1393477-72-9 C17H11F6N7O
WAY100635 WAY100635 1092679-51-0 C29H38N4O6
LDC000067 LDC000067 1073485-20-7 C18H18N4O3S
WS3 WS3 1421227-52-2 C28H30F3N7O3
Raf265 derivative Raf265 derivative 1942849-27-5 C23H14F6N6O
LMK-235 LMK-235 1418033-25-6 C15H22N2O4
Cathepsin Inhibitor 1 Cathepsin Inhibitor 1 225120-65-0 C20H24ClN5O2
Deltarasin Deltarasin 1440898-61-2 C40H37N5O
GSK-2110183C GSK-2110183C 1047644-62-1 C18H17Cl2FN4OS
BS-181 HCl BS-181 HCl 1397219-81-6 C22H33ClN6
RGFP966 RGFP966 1396841-57-8 C21H19FN4O
ReModelin hydrobroMide ReModelin hydrobroMide 1622921-15-6 C15H15BrN4S
WIKI4 WIKI4 838818-26-1 C29H23N5O3S
FTI 277 HYDROCHLORIDE FTI 277 HYDROCHLORIDE 180977-34-8 C22H30ClN3O3S2
PD 151746 PD 151746 179461-52-0 C11H8FNO2S
Ferrostatin-1 (Fer-1) Ferrostatin-1 (Fer-1) 347174-05-4 C15H22N2O2
IEM 1754 dihydrobroMide IEM 1754 dihydrobroMide 162831-31-4 C16H32Br2N2
LB 42708 LB 42708 226929-39-1 C30H27BrN4O2
BI-97C1 BI-97C1 1228108-65-3 C42H40N2O8
SR2516 SR2516 1061353-68-1 C25H26F3N5O3
Tubastatin-A Tubastatin-A 1252003-15-8 C20H21N3O2
PI-1840 PI-1840 1401223-22-0 C22H26N4O3
SCR7 SCR7 1533426-72-0 C18H14N4OS
2-Cyano-3-[5-(2,5-dichlorophenyl)-2-furanyl]-N-5-quinolinyl-2-propenamide 2-Cyano-3-[5-(2,5-dichlorophenyl)-2-furanyl]-N-5-quinolinyl-2-propenamide 304896-28-4 C23H13Cl2N3O2
MI-3 (Menin-MLL Inhibitor) MI-3 (Menin-MLL Inhibitor) 1271738-59-0 C18H25N5S2
CPI-203 CPI-203 1446144-04-2 C19H18ClN5OS
4-((2-(((1R,2R)-2-hydroxycyclohexyl)aMino)benzo[d]thiazol-6-yl)oxy)-N-MethylpicolinaMide 4-((2-(((1R,2R)-2-hydroxycyclohexyl)aMino)benzo[d]thiazol-6-yl)oxy)-N-MethylpicolinaMide 953769-46-5 C20H22N4O3S
HO-3867 HO-3867 1172133-28-6 C28H30F2N2O2
WHI-P97 WHI-P97 211555-05-4 C16H13Br2N3O3
AZD 2932 AZD 2932 883986-34-3 C24H25N5O4
LFM-A13 LFM-A13 244240-24-2 C11H8Br2N2O2
BAF-312(SiponiMod) BAF-312(SiponiMod) 1230487-00-9 C29H35F3N2O3
PFI3 PFI3 1819363-80-8 C19H19N3O2
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