药物功能重定位化合物库

Drug Repurposing Compound Library

产品编号： L9200

传统的药物开发涉及从头确认和验证新分子实体，这是一个耗时且成本高昂的过程，随着对药物安全性及有效性的要求不断提高，开发新药的成本还将持续上涨。由于时间和成本大幅降低，近年来药物功能重定位受到越来越多关注，高内涵筛选、新的生物标志物发现和生物信息学的快速发展为基于靶点或细胞的药物重定位创造了机会。

TargetMol 药物功能重定位化合物库收集了4921 种已上市和进入临床期的药物，这些化合物经过大量的临床前研究实验，具有活性高、毒性低和机制明确的特点，适用于药物筛选的同时，也是细胞诱导分化的有力工具。

陶术生物的所有产品和服务仅用于科学研究，我们不为任何个人用途提供产品和服务。

产品编号：L9200

技术资料

陶术生物化合物库目录(28.1MB)

库化合物信息

Excel

SDF

产品描述

4921种全球上市药物和临床药物的独特集合，可用于高通量筛选和高内涵筛选，是老药新用、新的药物靶点筛选和细胞诱导的有效工具。
是整个行业规模领先的药物功能重定位化合物库；
所有上市化合物得到FDA、EMA、NMPA等权威部门审批或收录在USP、EP、BP、JP、CP等药典文献中；
涵盖多个研究领域：肿瘤、心血管药物、抗炎/免疫、神经系统药物、呼吸系统药物等；
靶点多样，包括5-HT Receptor、Sodium Channel、p38 MAPK、PI3K、MEK等；
详细的说明书，化合物结构、靶点信息、适应症信息、活性描述等；
结构多样，药效显著，可渗透细胞；
NMR、HPLC/LCMS等多种检测技术保证产品结构正确，纯度高，减少假阳性。

化合物库定制

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化合物库组成

Adrenergic Receptor (186)

AChR (168)

Dopamine Receptor (141)

Histamine Receptor (139)

COX (136)

HIV Protease (120)

Parasite (120)

DNA/RNA Synthesis (118)

Antifungal (108)

Sodium Channel (107)

Potassium Channel (94)

Calcium Channel (91)

VEGFR (85)

EGFR (82)

Topoisomerase (81)

PDE (79)

PI3K (68)

Glucocorticoid Receptor (66)

Reactive Oxygen Species (64)

SARS-CoV (61)

P450 (61)

CDK (59)

Estrogen/progestogen Receptor (58)

HCV Protease (57)

Influenza Virus (57)

FLT (57)

Ferroptosis (56)

GABA Receptor (56)

Dehydrogenase (55)

PPAR (55)

NF-κB (54)

JAK (53)

Microtubule Associated (52)

PDGFR (51)

c-Kit (49)

HDAC (47)

FGFR (46)

RAAS (45)

Estrogen Receptor/ERR (43)

c-Met/HGFR (41)

Prostaglandin Receptor (41)

Mitophagy (40)

mTOR (40)

HBV (38)

Nucleoside Antimetabolite/Analog (38)

Androgen Receptor (37)

Src (36)

Adenosine Receptor (36)

Reverse Transcriptase (35)

Tyrosine Kinases (34)

Serotonin Transporter (33)

iGluR (33)

Bcr-Abl (32)

NMDAR (32)

GPR (32)

HSV (31)

Norepinephrine (31)

AChE (31)

Proteasome (30)

TRP/TRPV Channel (30)

GluR (30)

MAO (29)

Raf (29)

BTK (29)

HER (29)

ATPase (28)

ADC Cytotoxin (28)

Virus Protease (28)

ribosome (28)

TNF (28)

Phosphatase (27)

Antiviral (27)

Progesterone Receptor (26)

PARP (26)

Opioid Receptor (26)

Epigenetic Reader Domain (26)

HSP (26)

ROS (25)

Akt (25)

Carbonic Anhydrase (24)

Transferase (24)

p38 MAPK (24)

Antioxidant (24)

Beta Amyloid (24)

PKC (23)

IL Receptor (23)

Aurora Kinase (23)

ALK (22)

HIF/HIF Prolyl-Hydroxylase (22)

Proton pump (21)

Antifection (21)

P-gp (21)

MEK (21)

MMP (20)

Monoamine Oxidase (20)

Thyroid hormone receptor(THR) (19)

Histone Methyltransferase (19)

DNA Alkylator/Crosslinker (19)

Drug Metabolite (19)

Mitochondrial Metabolism (19)

DPP-4 (19)

CCR (19)

Endothelin Receptor (19)

TLR (19)

c-RET (19)

Thrombin (19)

Interleukin (18)

AMPK (18)

ERK (17)

Trk receptor (17)

Phospholipase (17)

GSK-3 (16)

CXCR (16)

Retinoid Receptor (16)

c-Fms (16)

GNRH Receptor (15)

MRP (15)

Caspase (15)

P2X Receptor (15)

BCL (15)

Lipoxygenase (15)

SGLT (15)

STAT (15)

HMG-CoA Reductase (15)

TAM Receptor (15)

S1P Receptor (15)

Integrin (14)

Factor Xa (14)

PKA (14)

ROCK (14)

Gamma-secretase (14)

Chk (14)

Neurokinin receptor (14)

FAK (14)

p53 (14)

NO Synthase (14)

DNA-PK (13)

NADPH (13)

E1/E2/E3 Enzyme (13)

Guanylate cyclase (13)

DNA Alkylation (13)

Vasopressin Receptor (13)

HIF (13)

Cannabinoid Receptor (13)

Syk (13)

CFTR (13)

LPL Receptor (12)

Reductase (12)

Wnt/beta-catenin (12)

DNA gyrase (12)

TGF-beta/Smad (12)

Kras (12)

DHFR (11)

Amino Acids and Derivatives (11)

Glutathione Peroxidase (11)

Antifolate (11)

Serine Protease (11)

FXR (11)

Hedgehog/Smoothened (11)

IGF-1R (11)

Nrf2 (11)

RSV (11)

ROS Kinase (11)

P2Y Receptor (10)

Histone Demethylase (10)

CSF-1R (10)

IAP (10)

ATM/ATR (10)

Hydroxylase (10)

PLK (10)

Sigma receptor (10)

Tyrosinase (10)

Mdm2 (9)

Chloride channel (9)

NOS (9)

CETP (9)

ABC (9)

Glucosidase (9)

CaMK (9)

Indoleamine 2,3-Dioxygenase (IDO) (9)

DNA Methyltransferase (9)

S6 Kinase (9)

Kinesin (9)

CAT (8)

BACE (8)

Cysteine Protease (8)

Leukotriene Receptor (8)

Vitamin (8)

Smo (8)

OX Receptor (8)

Xanthine Oxidase (8)

Sirtuin (8)

Ligand for E3 Ligase (8)

cholecystokinin (8)

JNK (7)

Glucokinase (7)

Aryl Hydrocarbon Receptor (7)

RIP kinase (7)

Glucagon Receptor (7)

Monoamine Transporter (7)

DNA (7)

Beta-Secretase (7)

Acyltransferase (7)

Aminopeptidase (7)

Casein Kinase (7)

Aromatase (7)

NOD (7)

ROR (6)

Pim (6)

GlyT (6)

Molecular Glues (6)

Isocitrate Dehydrogenase (IDH) (6)

Fatty Acid Synthase (6)

PAK (6)

Bradykinin Receptor (6)

IκB/IKK (6)

GHSR (6)

IRAK (6)

AhR (6)

LTR (5)

IFNAR (5)

Cell wall (5)

Tie-2 (5)

Serine/threonin kinase (5)

IDO (5)

MT Receptor (5)

FAAH (5)

PGE Synthase (5)

MAPK (5)

GPCR19 (5)

Ephrin Receptor (5)

CRFR (5)

Melanocortin Receptor (5)

CGRP Receptor (5)

Complement System (5)

Gap Junction Protein (5)

NADPH-oxidase (5)

Imidazoline Receptor (5)

CRM1 (4)

DprE1 (4)

YAP (4)

Melatonin Receptor (4)

CaSR (4)

Liver X Receptor (4)

Annexin A (4)

UGT (4)

Neuropeptide Y Receptor (4)

Somatostatin (4)

KSP (4)

Lipid (4)

Wee1 (4)

OAT (4)

STING (4)

Decarboxylase (4)

Neprilysin (4)

GST (4)

Acetyl-CoA Carboxylase (4)

LPA Receptor (4)

PDK (4)

Oxytocin Receptor (4)

Anti-infection (4)

Ras (4)

Protease-activated Receptor (4)

NOD-like Receptor (NLR) (4)

PD-1/PD-L1 (4)

PROTACs (3)

Monocarboxylate transporter (3)

Arginase (3)

PERK (3)

Rho (3)

PYK2 (3)

NAMPT (3)

Glutaminase (3)

Myosin (3)

LDL (3)

Na-K-Cl cotransporter (3)

Hexokinase (3)

Epoxide Hydrolase (3)

Mucin (3)

DUB (3)

Telomerase (3)

Free radical scavengers (3)

transporter (3)

Adenosine deaminase (3)

advanced glycation end products (2)

Taste receptor (2)

GSNOR (2)

NEDD8 (2)

Ligands for Target Protein for PROTAC (2)

Lipase (2)

TOPK (2)

VDA (2)

Galectin (2)

c-Myc (2)

Kisspeptin (2)

IRE1 (2)

FLAP (2)

Phosphorylase (2)

Integrase (2)

HCN Channel (2)

Stearoyl-CoA Desaturase (SCD) (2)

Thrombopoietin Receptor (2)

ATP Citrate Lyase (2)

BCRP (2)

Glutathione reductase (2)

Porcupine (2)

CD73 (2)

GluCls (2)

PAI-1 (2)

Pyroptosis (2)

Aquaporin (2)

Discoidin Domain Receptor (DDR) (2)

p97 (2)

MLK (2)

PKM (2)

Apelin receptor (1)

Adenylyl cyclase (1)

NPC1L1 (1)

Hydrogenase (1)

MALT (1)

Dynamin (1)

Na+/Ca2+ Exchanger (1)

Arrestin (1)

RAR/RXR (1)

DYRK (1)

gp120/CD4 (1)

GTPase (1)

N-Acetylglucosaminyltransferase (1)

VDAC (1)

Hck (1)

LIM Kinase (1)

Neurotensin Receptor (1)

Stemness kinase (1)

Immunology/Inflammation related (1)

SIK (1)

Adiponectin receptor (1)

PAFR (1)

MTH1 (1)

Fas/FasL (1)

GRK (1)

AAK1 (AP2 associated kinase 1) (1)

Anion Exchanger (1)

PROTAC Linker (1)

Thioredoxin (1)

Angiotensin-converting Enzyme (ACE) (1)

PAD (1)

ACK (1)

cAMP (1)

MNK (1)

Survivin (1)

Histone Acetyltransferase (1)

ASK (1)

MELK (1)

Methionine Adenosyltransferase (MAT) (1)

Hippo pathway (1)

KLF (1)

PI4K (1)

CRISPR/Cas9 (1)

RXFP receptor (1)

SGK (1)

Platelet aggregation (1)

BMI-1 (1)

化合物库信息示例

Empty	1000025-07-9	1000413-72-8	229005-80-5	1000787-75-6	946387-07-1	1000998-59-3	1175526-27-8	1001288-58-9	1001350-96-4	1001404-83-6	Empty
Empty	Vadadustat	TAK875	TAK-779	Tegobuvir	RN-1734	BMS-687453	AM211	FT011	BMS754807	AAI101	Empty
Empty	1001625-82-6	1001645-58-4	1001753-24-7	1001908-89-9	1002304-34-8	1002-84-2	100291-86-9	100299-08-9	10030-52-1	10040-45-6	Empty
Empty	RPW-24	SRT1720 hydrochloride	INH6	SRT 2183	AMG208	Pentadecanoic acid	Apiopaeonoside	Pemirolast potassium	L-Anserine nitrate salt	Sodium Picosulfate	Empty
Empty	100427-26-7	1004316-88-4	10045-45-1	100462-37-1	1004990-28-6	100-51-6	1005-24-9	1005264-47-0	1005334-57-5	1005342-46-0	Empty
Empty	Lercanidipine	Cobicistat	1-Ethyl-2-benzimidazolinone	ROSIRIDIN	PF-AKT400	Benzyl alcohol	1-Methylnicotinamide chloride	MX69	CVT-10216	LCL161	Empty
Empty	1005491-05-3	100-55-0	1005504-62-0	1005883-72-6	100643-71-8	1007207-67-1	10075-50-0	1007647-73-5	100784-20-1	10083-24-6	Empty
Empty	Tirasemtiv	Roniacol	Rg3039	Z433927330	Desloratadine	CH5132799	5-Bromoindole	Smurf1-IN-A01	Halosulfuron-methyl	Piceatannol	Empty
Empty	100872-83-1	100874-08-6	1009119-64-5	1009119-65-6	100929-71-3	1009298-09-2	1009298-59-2	100929-99-5	1009734-33-1	10097-84-4	Empty
Empty	ML346	SB 4	Daclatasvir	Daclatasvir dihydrochloride	NADPH (tetracyclohexanamine)	AZD8055	Vistusertib	PAβN dihydrochloride	HZ1157	Rotundine	Empty
Empty	1009816-48-1	1009817-63-3	1009820-21-6	100986-85-4	101001-34-7	1010411-21-8	1010-60-2	1011244-68-0	1011301-27-1	1011529-10-4	Empty
Empty	Thiamet G	B-AP15	Silmitasertib	Levofloxacin	Pamicogrel	GSK369796 Dihydrochloride	2-Chloronaphthoquinone	TFAP	Tenovin3	Azvudine	Empty
Empty	101152-94-7	101155-02-6	1011557-82-6	1011-74-1	101-20-2	1012054-59-9	101-21-3	101-26-8	101303-98-4	1013101-36-4	Empty
Empty	Milnacipran hydrochloride	BW-A78U	Tenovin-6	DL-Normetanephrine hydrochloride	Triclocarban	CUDC101	Chlorpropham	Mestinon	Zacopride hydrochloride	PF04691502	Empty
Empty	101-31-5	1013-69-0	1013750-77-0	1013753-99-5	10138-52-0	1013920-15-4	1013937-63-7	1014691-61-2	101477-54-7	101494-95-5	Empty
Empty	L-Hyoscyamine	Noreugenin	ML-030	BC-1382	Gadolinium chloride	Vorolanib	VTP-27999 TFA	GSK0660	Lomerizine hydrochloride	8-CHLOROQUINAZOLIN-4(1H)-ONE	Empty

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