MK-0429 [Ligand Id: 9689] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL145085 |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha V subunit/integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/Fibronectin receptor (Integrin alpha-5/beta-1 and alpha-V/beta-3) in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2111425] [GtoPdb: 2457, 2455, 2453, 2444] [UniProtKB: P05106, P05556, P06756, P08648] | ||||||||
| ChEMBL | Antagonist activity at integrin alphavbeta3alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ | F | 6.09 | pIC50 | 810 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4117-4121 [PMID:22572578] |
| GtoPdb | Binding to the αvβ3 integrin using a scintillation-proximity assay (SPAV3). | - | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2003) 46: 4790-8 [PMID:14561098] |
| integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/Integrin alpha-5/beta-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095226] [GtoPdb: 2455, 2444] [UniProtKB: P05556, P08648] | ||||||||
| ChEMBL | Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion | F | 5.34 | pIC50 | 4600 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4117-4121 [PMID:22572578] |
| ChEMBL | Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429 | F | 5.66 | pIC50 | 2200 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4117-4121 [PMID:22572578] |
| integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha IIb subunit (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41)/Integrin alpha-IIb/beta-3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2093869] [GtoPdb: 2457, 2441] [UniProtKB: P05106, P08514] | ||||||||
| ChEMBL | Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation | B | 4.46 | pIC50 | 34700 | nM | IC50 | J Med Chem (2003) 46: 4790-4798 [PMID:14561098] |
| integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha V subunit/Integrin alpha-V/beta-3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907598] [GtoPdb: 2457, 2453] [UniProtKB: P05106, P06756] | ||||||||
| GtoPdb | Binding to the αvβ3 integrin using a scintillation-proximity assay (SPAV3). | - | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2003) 46: 4790-8 [PMID:14561098] |
| ChEMBL | Inhibition of human integrin alphavbeta3 expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen preincubated for 20 mins followed by phosphatase substrate addition and measured after 1 hr by spectrophotometry | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2020) 63: 5675-5696 [PMID:31999923] |
| ChEMBL | Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+ | F | 9.52 | pIC50 | 0.3 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4117-4121 [PMID:22572578] |
| ChEMBL | Inhibition of alphaV-beta3 integrin binding | B | 10.1 | pIC50 | 0.08 | nM | IC50 | J Med Chem (2003) 46: 4790-4798 [PMID:14561098] |
| ChEMBL | Inhibition of integrin alphaVbeta3 | B | 10.1 | pIC50 | 0.08 | nM | IC50 | J Med Chem (2010) 53: 4332-4353 [PMID:20218623] |
| integrin, alpha V subunit/integrin, beta 6 subunit/Integrin alpha-V/beta-6 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111416] [GtoPdb: 2453, 2460] [UniProtKB: P06756, P18564] | ||||||||
| GtoPdb | Binding to the αvβ3 integrin using a scintillation-proximity assay (SPAV3). | - | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2003) 46: 4790-8 [PMID:14561098] |
| ChEMBL | Inhibition of Integrin-Ligand Interaction by Reference Inhibitors: The full reaction (Integrin-Ligand Interaction) was optimized as above. Integrin coupled beads were taken for the experiment. 2 μL of 10 nM/20 nM of Ligand was taken and mixed with 8 μL of the compound (i.e., Cilengitide or CWHM12, each diluted from a 10 mM stock). Reaction, with or without DMSO (0.08%), between Integrin and Ligand in the absence of the compound was considered as the full reaction. Reaction with DMSO (0.08%) in the absence of compound and Ligand was considered as the blank reaction. The samples incubated in low protein binding tubes at room temperature for 3 hours. The tubes were placed in a Magna spin and the supernant was discarded. The beads were washed with assay buffer twice to remove the excess Ligand and then re-suspended in 150 μL of assay buffer containing the primary antibody (1:500 of Anti-VN-FITC or 1:200 of Anti-LAP1 Ab). The tubes were placed in a tube roller and incubated at 4° C. overnight. After a brief spin, the tubes were placed in a Magna spin, and the supernatant was discarded. In the case of αVβ3/αVβ5-VN interaction, the beads were washed with assay buffer twice and finally washed with PBS. The beads were then re-suspended in 300 μL of PBS and analyzed by a Flow Cytometer. In the case of αVβ6/αVβ8-LAP1 interaction, the beads were washed with assay buffer twice and treated with 150 μL of Secondary Antibody (1:500) for two hours at room temperature, washed twice with assay buffer and PBS, and finally re-suspended in 300 μL of PBS and analyzed by a Flow Cytometer. | B | 8.02 | pIC50 | 9.57 | nM | IC50 | US-11685738-B2. Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof (2023) |
| integrin, alpha V subunit/integrin, beta 8 subunit/Integrin alpha-V/beta-8 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3430892] [GtoPdb: 2453, 2462] [UniProtKB: P06756, P26012] | ||||||||
| GtoPdb | Binding to the αvβ3 integrin using a scintillation-proximity assay (SPAV3). | - | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2003) 46: 4790-8 [PMID:14561098] |
| ChEMBL | Inhibition of Integrin-Ligand Interaction by Reference Inhibitors: The full reaction (Integrin-Ligand Interaction) was optimized as above. Integrin coupled beads were taken for the experiment. 2 μL of 10 nM/20 nM of Ligand was taken and mixed with 8 μL of the compound (i.e., Cilengitide or CWHM12, each diluted from a 10 mM stock). Reaction, with or without DMSO (0.08%), between Integrin and Ligand in the absence of the compound was considered as the full reaction. Reaction with DMSO (0.08%) in the absence of compound and Ligand was considered as the blank reaction. The samples incubated in low protein binding tubes at room temperature for 3 hours. The tubes were placed in a Magna spin and the supernant was discarded. The beads were washed with assay buffer twice to remove the excess Ligand and then re-suspended in 150 μL of assay buffer containing the primary antibody (1:500 of Anti-VN-FITC or 1:200 of Anti-LAP1 Ab). The tubes were placed in a tube roller and incubated at 4° C. overnight. After a brief spin, the tubes were placed in a Magna spin, and the supernatant was discarded. In the case of αVβ3/αVβ5-VN interaction, the beads were washed with assay buffer twice and finally washed with PBS. The beads were then re-suspended in 300 μL of PBS and analyzed by a Flow Cytometer. In the case of αVβ6/αVβ8-LAP1 interaction, the beads were washed with assay buffer twice and treated with 150 μL of Secondary Antibody (1:500) for two hours at room temperature, washed twice with assay buffer and PBS, and finally re-suspended in 300 μL of PBS and analyzed by a Flow Cytometer. | B | 7.75 | pIC50 | 17.6 | nM | IC50 | US-11685738-B2. Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof (2023) |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
