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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
