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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
GSK1838705A GSK1838705A 1116235-97-2 C27H29FN8O3
BML-275 BML-275 1219168-18-9 C24H27Cl2N5O
TAK-285 TAK-285 871026-44-7 C26H25ClF3N5O3
KW-2478 KW-2478 819812-04-9 C30H42N2O9
U0126-EtOH U0126-EtOH 1173097-76-1 C20H22N6OS2
Tepotinib Tepotinib 1100598-32-0 C29H28N6O2
[4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone [4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone 1000669-72-6 C20H20N4O
CCT 137690 CCT 137690 1095382-05-0 C26H31BrN8O
MLN0905 MLN0905 1228960-69-7 C24H25F3N6S
MGluR5 inhibitor MGluR5 inhibitor 871362-31-1 C19H13ClF3N3O
LCZ696 LCZ696 936623-90-4 C48H58N6O8
XL765 XL765 1349796-36-6 C31H29N5O6S
ETP46464 ETP46464 1345675-02-6 C30H22N4O2
AZD 1080 AZD 1080 612487-72-6 C19H18N4O2
UNC-1215 UNC-1215 1415800-43-9 C32H43N5O2
Tasisulam Tasisulam 519055-62-0 C11H6BrCl2NO3S2
IGF-1R  Inhibitor  II,  N-(5-Chloro-2-methoxyphenyl)-Nμ-(2-methylquinolin-4-yl)urea IGF-1R Inhibitor II, N-(5-Chloro-2-methoxyphenyl)-Nμ-(2-methylquinolin-4-yl)urea 196868-63-0 C18H16ClN3O2
2,2'-[[Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis[N,N-dimethylbenzenamine 2,2'-[[Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis[N,N-dimethylbenzenamine 500579-04-4 C27H35N5
2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4h-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4h-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid 1173900-33-8 C22H24N4O4
5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine 5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine 870483-87-7 C20H22N4O3
1-{2-[5-(2-Methoxy-ethoxy)-benzoimidazol-1-yl]-quinolin-8-yl}-piperidin-4-ylamine 1-{2-[5-(2-Methoxy-ethoxy)-benzoimidazol-1-yl]-quinolin-8-yl}-piperidin-4-ylamine 343787-29-1 C24H27N5O2
YK-4-279 YK-4-279 1037184-44-3 C17H13Cl2NO4
NVP-BHG712 NVP-BHG712 940310-85-0 C26H20F3N7O
Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro- Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro- 328543-09-5 C19H20N4O
BMS707035 BMS707035 729607-74-3 C17H19FN4O5S
Stattic Stattic 19983-44-9 C8H5NO4S
Fenspiride hydrochloride Fenspiride hydrochloride 5053-08-7 C15H21ClN2O2
SB 415286 SB 415286 264218-23-7 C16H10ClN3O5
GO 6983 GO 6983 133053-19-7 C26H26N4O3
6-AMINO-4-(4-PHENOXYPHENYLETHYLAMINO)QUINAZOLINE 6-AMINO-4-(4-PHENOXYPHENYLETHYLAMINO)QUINAZOLINE 545380-34-5 C22H20N4O
JNJ7777120 JNJ7777120 459168-41-3 C14H16ClN3O
SC-514 SC-514 354812-17-2 C9H8N2OS2
3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione 3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione 905854-02-6 C23H19N3O2
4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl1H-pyrazole-3-carboxamide 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl1H-pyrazole-3-carboxamide 844442-38-2 C16H17Cl2N5O2
3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol 3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol 677297-51-7 C18H14N6O2
PD173955 PD173955 260415-63-2 C21H16Cl2N4OS
ADL-5859 ADL-5859 850173-95-4 C24H29ClN2O3
GDC-0941 Bimesylate GDC-0941 Bimesylate 957054-33-0 C24H30N7O6S3
LY2228820 LY2228820 862507-23-1 C26H37FN6O6S2
IWR-1-endo IWR-1-endo 1127442-82-3 C25H19N3O3
N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(tert-butyl)benzamide N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-4-(tert-butyl)benzamide 910232-84-7 C34H37N5O4
AR-42 AR-42 935881-37-1 C18H20N2O3
CCT128930 CCT128930 885499-61-6 C18H20ClN5
AMG 900 AMG 900 945595-80-2 C28H21N7OS
SGI-1776 SGI-1776 1025065-69-3 C20H22F3N5O
WP1130 WP1130 856243-80-6 C19H18BrN3O
Binimetinib Binimetinib 606143-89-9 C17H15BrF2N4O3
Icotinib Icotinib 610798-31-7 C22H21N3O4
WP1066 WP1066 857064-38-1 C17H14BrN3O
PACRITINIB PACRITINIB 937272-79-2 C28H32N4O3
Tazemetostat (EPZ-6438) Tazemetostat (EPZ-6438) 1403254-99-8 C34H44N4O4
PluriSln 1 PluriSln 1 91396-88-2 C12H11N3O
Glasdegib Glasdegib 1095173-27-5 C21H22N6O
3,4-Dichloro-N-(1-Methylbutyl)benza-Mide 3,4-Dichloro-N-(1-Methylbutyl)benza-Mide 7497-07-6 C12H15Cl2NO
NMS 873 NMS 873 1418013-75-8 C27H28N4O3S2
NU7026 NU7026 154447-35-5 C17H15NO3
4-METHYL-N1-(3-PHENYLPROPYL)BENZENE-1,2-DIAMINE 4-METHYL-N1-(3-PHENYLPROPYL)BENZENE-1,2-DIAMINE 749886-87-1 C16H20N2
(-)-Blebbistatin (-)-Blebbistatin 856925-71-8 C18H16N2O2
4-(4-FLUORO-1-NAPHTHALENYL)-6-(1-METHYLETHYL)-2-PYRIMIDINAMINE HYDROCHLORIDE 4-(4-FLUORO-1-NAPHTHALENYL)-6-(1-METHYLETHYL)-2-PYRIMIDINAMINE HYDROCHLORIDE 199864-87-4 C17H16FN3
LY-404039 LY-404039 635318-11-5 C7H9NO6S
Plinabulin(NPI-2358) Plinabulin(NPI-2358) 714272-27-2 C19H20N4O2
PHA-848125 PHA-848125 802539-81-7 C25H32N8O
Safinamide mesylate Safinamide mesylate 202825-46-5 C17H19FN2O2.CH4O3S
3-(1H-Indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione 3-(1H-Indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione 425637-18-9 C25H22N6O2
WYE-354 WYE-354 1062169-56-5 C24H29N7O5
3-(2,4-Dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone 3-(2,4-Dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone 338967-87-6 C15H10Cl2N2O2S
CP466722 CP466722 1080622-86-1 C17H15N7O2
LY2603618 LY2603618 911222-45-2 C18H22BrN5O3
5-(4-aMino-1-isopropyl-1H-pyrazolo[3,4-d]pyriMidin-3-yl)benzo[d]oxazol-2-aMine 5-(4-aMino-1-isopropyl-1H-pyrazolo[3,4-d]pyriMidin-3-yl)benzo[d]oxazol-2-aMine 1224844-38-5 C15H15N7O
OMecaMtiv Mecarbil OMecaMtiv Mecarbil 873697-71-3 C20H24FN5O3
PIK-75 Hydrochloride PIK-75 Hydrochloride 372196-77-5 C16H15BrClN5O4S
Capmatinib Capmatinib 1029712-80-8 C23H17FN6O
EPZ004777 EPZ004777 1338466-77-5 C28H41N7O4
ENMD-2076 (Tartrate) ENMD-2076 (Tartrate) 1291074-87-7 C21H25N7.x(C4H6O6)
2-ButynaMide, N-[4-[(3-broMophenyl)aMino]-6-quinazolinyl]- 2-ButynaMide, N-[4-[(3-broMophenyl)aMino]-6-quinazolinyl]- 194423-06-8 C18H13BrN4O
XL413 (BMS-863233) XL413 (BMS-863233) 1169562-71-3 C14H13Cl2N3O2
LRRK2-kinase inhibitor LRRK2-kinase inhibitor 1285515-21-0 C24H18FN3O2
RO3280 RO3280 1062243-51-9 C27H35F2N7O3
Carbonic Anhydrase IX/XII Inhibitor II(U-104) Carbonic Anhydrase IX/XII Inhibitor II(U-104) 178606-66-1 C13H12FN3O3S
VUF 10166 VUF 10166 155584-74-0 C13H15ClN4
PF 543 PF 543 1415562-82-1 C27H31NO4S
KY0211 KY0211 1118807-13-8 C18H17ClN2O3S
IWP L6 IWP L6 1427782-89-5 C25H20N4O2S2
IKK 16 IKK 16 873225-46-8 C28H29N5OS
SAR 131675 SAR 131675 1433953-83-3 C18H22N4O4
ZM 323881 hydrochloride ZM 323881 hydrochloride 193000-39-4 C22H19ClFN3O2
CNX-2006 CNX-2006 1375465-09-0 C26H27F4N7O2
SKLB1002 SKLB1002 1225451-84-2 C13H12N4O2S2
b-AP15 b-AP15 1009817-63-3 C22H17N3O6
UNC 669 UNC 669 1314241-44-5 C15H20BrN3O
Entospletinib (GS-9973) Entospletinib (GS-9973) 1229208-44-9 C23H21N7O
WZ4003 WZ4003 1214265-58-3 C25H29ClN6O3
UNC0379 UNC0379 1620401-82-2 C23H35N5O2
KI16425 KI16425 355025-24-0 C23H23ClN2O5S
NH125 NH125 278603-08-0 C27H45N2.I
Diphemanil Methylsulfate Diphemanil Methylsulfate 62-97-5 C20H24N.CH3O4S
Salirasib Salirasib 162520-00-5 C22H30O2S
Z-PHE-DL-ALA-FLUOROMETHYLKETONE Z-PHE-DL-ALA-FLUOROMETHYLKETONE 197855-65-5 C21H23FN2O4
RO-31-8220 RO-31-8220 138489-18-6 C25H23N5O2S
H-89 DIHYDROCHLORIDE HYDRATE H-89 DIHYDROCHLORIDE HYDRATE 130964-39-5 C20H20BrN3O2S.2ClH.H2O
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