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multitarget ligands

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By Targets:	5-HT Receptor (2) Adrenergic Receptor (1) Amyloid-β (1) Bcr-Abl (1) Calcium Channel (1) CDK (1) Cholinesterase (ChE) (4) Cyclin G-associated Kinase (GAK) (1) Dopamine Receptor (3) Endogenous Metabolite (1) Glucocorticoid Receptor (2) IRAK (1) Keap1-Nrf2 (1) MAP4K (1) MMP (2) Monoamine Oxidase (3) PROTACs (1) Reactive Oxygen Species (ROS) (1) Reference Standards (1) Serotonin Transporter (1) Src (1) VKOR (2)
By Research Areas:	Cancer (2) Neurological Disease (10)
Click Chemistry:	PROTAC Synthesis (1) Alkynes (1)

Inhibitors & Agonists

Screening Libraries

Click Chemistry

Targets Recommended: Ligands for Target Protein for PROTAC Ligands for E3 Ligase

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-137342

SB1-G-187	PROTACs Src IRAK Bcr-Abl MAP4K Cyclin G-associated Kinase (GAK) CDK	Cancer
SB1-G-187 is a multi-target kinase PROTAC degrader with activity against various kinases including GCK, YES1, IRAK1 and LYN. SB1-G-187 induces degradation of target kinases via a p97-dependent pathway, and forms ternary complexes with CRBN and specific functional kinases. SB1-G-187 can be used in tumor-related research. (Pink: multi-target kinase ligand (HY-125142); Blue: CRBN ligand (HY-A0003); Black: linker) .

HY-111186

Flocoumafen WL 108366	Glucocorticoid Receptor MMP VKOR	Others
Flocoumafen (WL 108366) is an orally active vitamin K epoxide reductase inhibitor and a multi-target ligand, which includes prostaglandin F synthase, serum albumin, glucocorticoid receptor 2, and MMP-9. Flocoumafen is a second-generation anticoagulant rodenticide (ARs) with a half-life of 177.4 hours and has deadly anticoagulant effects .

HY-144635

Nrf2-ARE/hMAO-B/QR2 modulator 1	Monoamine Oxidase Keap1-Nrf2 Reactive Oxygen Species (ROS)	Neurological Disease
Nrf2-ARE/hMAO-B/QR2 modulator 1 is a Resveratrol-based multitarget-directed ligands with IC₅₀s of 8.05, 9.83 and 0.57 μM for hMAO-B, NRF2 and QR2. Nrf2-ARE/hMAO-B/QR2 modulator 1 has neuroprotection, decreasing ROS production in okadaic acid-treated mice hippocampal slices . Nrf2-ARE/hMAO-B/QR2 modulator 1 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

HY-155378

PZ-1190	5-HT Receptor Dopamine Receptor	Neurological Disease
PZ-1190 is a multitarget ligand for serotonin and dopamine receptors with potential antipsychotic activity in rodents .

HY-139680

Dopamine D3 receptor antagonist-1	Dopamine Receptor	Neurological Disease
Dopamine D3 receptor antagonist-1 is a dopamine D₃ receptor-selective or multitarget bitopic ligand (K_i = 1.58 nM) potentially useful for central nervous system disorders.

HY-139681

Dopamine D3 receptor antagonist-2	Dopamine Receptor	Neurological Disease
Dopamine D3 receptor antagonist-2 is a dopamine D3 receptor-selective (K_i = 2.16 nM) or multitarget bitopic ligand potentially useful for central nervous system disorders.

HY-176439

AChE-IN-88	Amyloid-β Cholinesterase (ChE)	Neurological Disease
AChE-IN-88 (Compound 26) is a novel pyridazine derivative. AChE-IN-88 is an orally active multi-target ligand for Alzheimer's disease (AD) that inhibits both acetylcholinesterase (AChE) and amyloid β protein (Aβ) aggregation (pIC₅₀: 7.16) .

HY-143499

hMAO-B-IN-3	Monoamine Oxidase	Neurological Disease
hMAO-B-IN-3 (Compound 15) is a potent inhibitor of hMAO-B with an IC₅₀ of 47.4 nM. hMAO-B-IN-3 is playing favourable agent-like properties and a broad safety window. hMAO-B-IN-3 is thus a suitable candidate for lead optimization and the development of multitarget-directed ligands .

HY-155349

AChE/BuChE-IN-4	Cholinesterase (ChE)	Neurological Disease
AChE/BuChE-IN-4(compound 4a) is a multitarget-directed AChE/BuChE inhibitor againstAChEandBuChE, with the IC₅₀ of 2.08 and 7.41 μM .

HY-B1844

Flucythrinate	Endogenous Metabolite	Cancer
Flucythrinate is a synthetic pyrethroid with endocrine suppressive properties. Flucythrinate showed good binding affinity to the vitamin D nuclear receptor (VDR) with a score of -11.0 kcal/mol. Flucythrinate has been proposed as a multi-target ligand that may interact with several proteins associated with breast cancer. The screening method for Flucythrinate showed good accuracy in binding site prediction and affinity estimation .

HY-145708

Dual AChE-MAO B-IN-2	Cholinesterase (ChE) Monoamine Oxidase	Neurological Disease
Dual AChE-MAO B-IN-2 is a potent AChE and MAO B dual inhibitor with IC₅₀s of 0.12 µM and 0.01 µM for b>AChE and MAO B, respectively. Dual AChE-MAO B-IN-2 has the potential for the research of Alzheimer’s disease .

HY-111186R

Flocoumafen (Standard) WL 108366 (Standard)	Reference Standards VKOR Glucocorticoid Receptor MMP	Others
Flocoumafen (Standard) is the analytical standard of Flocoumafen. This product is intended for research and analytical applications. Flocoumafen (WL 108366) is an orally active vitamin K epoxide reductase inhibitor and a multi-target ligand, which includes prostaglandin F synthase, serum albumin, glucocorticoid receptor 2, and MMP-9. Flocoumafen is a second-generation anticoagulant rodenticide (ARs) with a half-life of 177.4 hours and has deadly anticoagulant effects .

HY-180891

Multitarget AD-IN-4	Cholinesterase (ChE) Calcium Channel	Neurological Disease
Multitarget AD-IN-4 (compound IIIj) is a multitarget-directed ligand (MTDL), with the ability to simultaneously inhibit ChE enzymes (EeAChE IC₅₀ = 0.157 μM, eqBuChE IC₅₀ = 0.147 μM, hAChE IC₅₀ = 1.551 μM, hBuChE IC₅₀ = 2.152 μM), exhibit antioxidant activity, provide neuroprotection, and inhibit calcium channels (Ca ²⁺ channel blockade: IC₅₀ = 30.59 μM). Multitarget AD-IN-4 reverses Scopolamine (HY-N0296)-induced amnesia in a mouse model. Multitarget AD-IN-4 can be used for Alzheimer’s disease (AD) research .

HY-181878

Z8779877149 Z7149	Serotonin Transporter Adrenergic Receptor 5-HT Receptor	Neurological Disease
Z8779877149 (Z7149) is a blood-brain barrier-permeable multi-target ligand that targets SERT (K_i=198 nM), α2A adrenergic receptor (K_i=180 nM; EC₅₀=440 nM) and 5-HT_2A receptor (EC₅₀=172 nM, E_max=76%). Z8779877149 inhibits 5-HT reuptake and activates G_i and Gq protein signaling pathways, respectively. Z8779877149 effectively alleviates pain responses as well as depression- and anxiety-like behaviors, while exhibiting favorable safety without inducing sedation or motor impairment. Z8779877149 is available for the research of pain, depression and anxiety disorders .

Cat. No.	Product Name

HY-L176

Multi-Target Compound Library	6,758 compounds
The occurrence of diseases is often associated with multiple targets and pathways, and the factors of disease formation are complex and diverse, so the development of more powerful drugs is needed. According to statistics, 21% of the FDA-approved drugs in 2015-2017 were multi-target compounds. Multi-target compounds refer to a drug targeting multiple disease-related targets or multiple subtypes of a target. Multi-target compounds can be applied to drug screening or targeted ligand design. Because the targets of such compounds are diverse and clear, they have the characteristics of saving time and drug cost during the mechanism research of new drug research and development. In addition, due to the diversity of drug targets, multiple strategies can be applied to pharmacological studies. MCE supplies a unique collection of 6,758 multi-target compounds that targets two or more different targets or different subtypes of the same target. MCE Multi-Target Compound Library can be used for target protein ligand screening or drug development.

Multi-Target Compound Library

6,758 compounds

The occurrence of diseases is often associated with multiple targets and pathways, and the factors of disease formation are complex and diverse, so the development of more powerful drugs is needed. According to statistics, 21% of the FDA-approved drugs in 2015-2017 were multi-target compounds. Multi-target compounds refer to a drug targeting multiple disease-related targets or multiple subtypes of a target. Multi-target compounds can be applied to drug screening or targeted ligand design. Because the targets of such compounds are diverse and clear, they have the characteristics of saving time and drug cost during the mechanism research of new drug research and development. In addition, due to the diversity of drug targets, multiple strategies can be applied to pharmacological studies.

MCE supplies a unique collection of 6,758 multi-target compounds that targets two or more different targets or different subtypes of the same target. MCE Multi-Target Compound Library can be used for target protein ligand screening or drug development.

Cat. No.	Product Name		Classification

HY-137342

SB1-G-187		PROTAC Synthesis
SB1-G-187 is a multi-target kinase PROTAC degrader with activity against various kinases including GCK, YES1, IRAK1 and LYN. SB1-G-187 induces degradation of target kinases via a p97-dependent pathway, and forms ternary complexes with CRBN and specific functional kinases. SB1-G-187 can be used in tumor-related research. (Pink: multi-target kinase ligand (HY-125142); Blue: CRBN ligand (HY-A0003); Black: linker) .

HY-144635

Nrf2-ARE/hMAO-B/QR2 modulator 1		Alkynes
Nrf2-ARE/hMAO-B/QR2 modulator 1 is a Resveratrol-based multitarget-directed ligands with IC₅₀s of 8.05, 9.83 and 0.57 μM for hMAO-B, NRF2 and QR2. Nrf2-ARE/hMAO-B/QR2 modulator 1 has neuroprotection, decreasing ROS production in okadaic acid-treated mice hippocampal slices . Nrf2-ARE/hMAO-B/QR2 modulator 1 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

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BODIPY 493/503 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Feb 1;16(1):1241. [Abstract]

MedchemExpress Validation 01

Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature. Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature. Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature.

BODIPY 493/503 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Feb 1;16(1):1241. [Abstract]

MedchemExpress Validation 01

MedchemExpress Validation 03

Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred

MedchemExpress Validation 04

MedchemExpress Validation

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