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
WP1130 WP1130 856243-80-6 C19H18BrN3O
AR-42 AR-42 935881-37-1 C18H20N2O3
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
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
NU7026 NU7026 154447-35-5 C17H15NO3
NMS 873 NMS 873 1418013-75-8 C27H28N4O3S2
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
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
CP466722 CP466722 1080622-86-1 C17H15N7O2
PHA-848125 PHA-848125 802539-81-7 C25H32N8O
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
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
4,4'-propylenebis(piperazine-2,6-dione) 4,4'-propylenebis(piperazine-2,6-dione) 21416-67-1 C11H16N4O4
SB269970 HCl SB269970 HCl 261901-57-9 C18H28N2O3SHCl
C 646 C 646 328968-36-1 C24H19N3O6
PYR 41 PYR 41 418805-02-4 C17H13N3O7
NVP-BSK805 NVP-BSK805 1092499-93-8 C27H28F2N6O
3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide 3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide 1001917-37-8 C25H21N5O3S
E-3810 E-3810 1058137-23-7 C26H25N3O4
BAM7 BAM7 331244-89-4 C21H19N5O2S
GSK2656157 GSK2656157 1337532-29-2 C23H21FN6O
GSK J4 HCl GSK J4 HCl 1373423-53-0 C24H27N5O2
ANA12 ANA12 219766-25-3 C22H21N3O3S
4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazane 3-oxide 4-(4-Methyl-1-piperazinyl)-7-nitrobenzofurazane 3-oxide 58131-57-0 C11H13N5O4
5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine 5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine 865362-74-9 C18H13N7
ADX-47273 ADX-47273 851881-60-2 C20H17F2N3O2
CAY10505 CAY10505 1218777-13-9 C14H8FNO3S
Ki16198 Ki16198 355025-13-7 C24H25ClN2O5S
LGK-974 LGK-974 1243244-14-5 C23H20N6O
7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate 7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate 802904-66-1 C19H17ClN2O3S
(Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3- (Z)-3-(3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3- 1421919-75-6 C16H10F8N4O
GNE-9605 GNE-9605 1536200-31-3 C17H20ClF4N7O
SD-208 SD-208 627536-09-8 C17H10ClFN6
A 205804 A 205804 251992-66-2 C15H12N2OS2
Levobetaxolol HCL Levobetaxolol HCL 116209-55-3 C18H30ClNO3
WZ3146 WZ3146 1214265-56-1 C24H25ClN6O2
PIK-293 PIK-293 900185-01-5 C22H19N7O
TG 100713 TG 100713 925705-73-3 C12H10N6O
VU 0364770 VU 0364770 61350-00-3 C12H9ClN2O
JNK-IN-8 JNK-IN-8 1410880-22-6 C29H29N7O2
N4-(9-Ethyl-9H-carbazol-3-yl)-N2-(3-Morpholin-4-yl-propyl)-pyriMidine-2,4-diaMine N4-(9-Ethyl-9H-carbazol-3-yl)-N2-(3-Morpholin-4-yl-propyl)-pyriMidine-2,4-diaMine 1380432-32-5 C25H30N6O
Edoxaban (tosylate Monohydrate) Edoxaban (tosylate Monohydrate) 1229194-11-9 C31H38ClN7O7S2
7-benzyl-10-(2-Methylbenzyl)-2,6,7,8,9,10-hexahydroiMidazo[1,2-a]pyrido[4,3-d]pyriMidin-5(3H)-one 7-benzyl-10-(2-Methylbenzyl)-2,6,7,8,9,10-hexahydroiMidazo[1,2-a]pyrido[4,3-d]pyriMidin-5(3H)-one 41276-02-2 C24H26N4O
S-Ruxolitinib (INCB018424) S-Ruxolitinib (INCB018424) 941685-37-6 C17H18N6
TMP269 TMP269 1314890-29-3 C25H21F3N4O3S
FGFR inhibitor FGFR inhibitor 848318-25-2 C18H15N2NaO4
UNC2250 UNC2250 1493694-70-4 C24H36N6O2
FLI-06 FLI-06 313967-18-9 C25H30N2O5
5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a] 5-[6-(4-Methoxyphenyl)pyrazolo[1,5-a] 1062368-49-3 C22H16N4O
WS6 WS6 1421227-53-3 C29H31F3N6O3
BMH21 BMH21 896705-16-1 C21H20N4O2
PD168393 PD168393 194423-15-9 C17H13BrN4O
Cyclophosphamide Cyclophosphamide 50-18-0 C7H15Cl2N2O2P
MMP-2/MMP-9 INHIBITOR IV MMP-2/MMP-9 INHIBITOR IV 292605-14-2 C15H14O3S2
JNJ 1661010 JNJ 1661010 681136-29-8 C19H19N5OS
Sb-742457 Sb-742457 607742-69-8 C19H19N3O2S
Ro 3306 Ro 3306 872573-93-8 C18H13N3OS2
Voreloxin Voreloxin 175414-77-4 C18H19N5O4S
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