GSK3008348 [Ligand Id: 12736] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4241824 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG expressed in HEK293 cells by Barracuda automated patch clamp assay | B | 4.5 | pIC50 | 31622.78 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Inhibition of human ERG expressed in HEK293 cells by Q-patch assay | B | 4.9 | pIC50 | 12589.25 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| 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 | Binding affinity to human integrin alpha5beta1 after 6 hrs by liquid scintillation counting | B | 7 | pKd | 100 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alpha5beta1 after 6 hrs by liquid scintillation counting | B | 7 | pKd | 100 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alpha8beta1 by liquid scintillation counting | B | 9.59 | pKd | 0.26 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alpha8beta1 by liquid scintillation counting | B | 9.59 | pKd | 0.26 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha V subunit/Integrin alpha-V/beta-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111407] [GtoPdb: 2455, 2453] [UniProtKB: P05556, P06756] | ||||||||
| ChEMBL | Binding affinity to human integrin alphaVbeta1 after 6 hrs by liquid scintillation counting | B | 8.59 | pKd | 2.6 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alphaVbeta1 after 6 hrs by liquid scintillation counting | B | 8.59 | pKd | 2.57 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| GtoPdb | Binding affinity of the tritiated radioligand for recpmbinant human αVβ6 integrin | - | 10.8 | pKd | 0.02 | nM | Kd | Biochem Pharmacol (2016) 117: 88-96 [PMID:27501918] |
| ChEMBL | Antagonist activity at human integrin alphaVbeta1 expressed in human A549 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay | B | 7.3 | pIC50 | 50.12 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| 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] | ||||||||
| ChEMBL | Binding affinity to human integrin alphaVbeta3 by liquid scintillation counting | B | 7.74 | pKd | 18.4 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alphaVbeta3 by liquid scintillation counting | B | 7.74 | pKd | 18.2 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| GtoPdb | Binding affinity of the tritiated radioligand for recpmbinant human αVβ6 integrin | - | 10.8 | pKd | 0.02 | nM | Kd | Biochem Pharmacol (2016) 117: 88-96 [PMID:27501918] |
| ChEMBL | Antagonist activity at human integrin alphaVbeta3 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| integrin, alpha V subunit/integrin, beta 5 subunit/Integrin alpha-V/beta-5 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2096675] [GtoPdb: 2453, 2459] [UniProtKB: P06756, P18084] | ||||||||
| ChEMBL | Binding affinity to human integrin alphaVbeta5 by after 2 hrs liquid scintillation counting | B | 7.68 | pKd | 21 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alphaVbeta5 by after 2 hrs liquid scintillation counting | B | 7.68 | pKd | 20.89 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| GtoPdb | Binding affinity of the tritiated radioligand for recpmbinant human αVβ6 integrin | - | 10.8 | pKd | 0.02 | nM | Kd | Biochem Pharmacol (2016) 117: 88-96 [PMID:27501918] |
| ChEMBL | Antagonist activity at human integrin alphaVbeta5 expressed in human K562 cells assessed as reduction in cell adhesion to vitronectin after 30 mins by BCECF-AM-fluorescence based assay | B | 6.9 | pIC50 | 125.89 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| 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] | ||||||||
| ChEMBL | Binding affinity to human integrin alphaVbeta6 after 24 hrs by liquid scintillation counting | B | 10.7 | pKd | 0.02 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alphaVbeta6 after 24 hrs by liquid scintillation counting | B | 10.8 | pKd | 0.02 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| GtoPdb | Binding affinity of the tritiated radioligand for recpmbinant human αVβ6 integrin | - | 10.8 | pKd | 0.02 | nM | Kd | Biochem Pharmacol (2016) 117: 88-96 [PMID:27501918] |
| ChEMBL | Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay | B | 10.4 | pKi | 0.04 | nM | Ki | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting | B | 11 | pKi | 0.01 | nM | Ki | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Antagonist activity at human integrin alphaVbeta6 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay | B | 8.4 | pIC50 | 3.98 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Antagonist activity at human integrin alphaVbeta6 in lung tissue slices derived from IPF patient assessed as reduction in SMAD2 phosphorylation | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Induction of integrin alphaVbeta6 receptor internalization in human primary human lung epithelial cells | B | 9.8 | pEC50 | 0.16 | nM | EC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| 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] | ||||||||
| ChEMBL | Binding affinity to human integrin alphaVbeta8 after 2 hrs by liquid scintillation counting | B | 8.56 | pKd | 2.75 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| ChEMBL | Binding affinity to human integrin alphaVbeta8 after 2 hrs by liquid scintillation counting | B | 8.56 | pKd | 2.74 | nM | Kd | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
| GtoPdb | Binding affinity of the tritiated radioligand for recpmbinant human αVβ6 integrin | - | 10.8 | pKd | 0.02 | nM | Kd | Biochem Pharmacol (2016) 117: 88-96 [PMID:27501918] |
| ChEMBL | Antagonist activity at human integrin alphaVbeta8 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay | B | 7.8 | pIC50 | 15.85 | nM | IC50 | J Med Chem (2018) 61: 8417-8443 [PMID:30215258] |
ChEMBL data shown on this page come from version 34:
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]
