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ChEMBL ligand: CHEMBL254129 ([3H]-Cyclopamine, Cyclopamine) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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SMO/Smoothened homolog in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5971] [GtoPdb: 239] [UniProtKB: Q99835] | ||||||||
ChEMBL | Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting | B | 6.94 | pKd | 116 | nM | Kd | Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522] |
ChEMBL | Binding affinity to wild type Smo expressed in U2OS cells by scintillation counting | B | 7.91 | pKd | 12.4 | nM | Kd | Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522] |
ChEMBL | Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting | B | 6.63 | pKi | 232 | nM | Ki | Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522] |
ChEMBL | Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting | B | 7.29 | pKi | 51 | nM | Ki | J Med Chem (2017) 60: 7447-7458 [PMID:28787156] |
ChEMBL | Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting | B | 7.9 | pKi | 12.7 | nM | Ki | Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522] |
ChEMBL | Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay | F | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2012) 55: 1559-1571 [PMID:22268551] |
ChEMBL | Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay | B | 6.55 | pIC50 | 280 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 328-331 [PMID:19091559] |
ChEMBL | Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy | B | 7.19 | pIC50 | 64 | nM | IC50 | J Med Chem (2012) 55: 1559-1571 [PMID:22268551] |
SMO/Smoothened homolog in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6080] [GtoPdb: 239] [UniProtKB: P56726] | ||||||||
ChEMBL | Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay | B | 5.72 | pIC50 | 1900 | nM | IC50 | ACS Med Chem Lett (2012) 3: 808-813 [PMID:23074541] |
ChEMBL | Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity | B | 5.82 | pIC50 | 1500 | nM | IC50 | ACS Med Chem Lett (2012) 3: 808-813 [PMID:23074541] |
ChEMBL | Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 328-331 [PMID:19091559] |
ChEMBL | Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method | F | 6.32 | pIC50 | 484 | nM | IC50 | Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522] |
GtoPdb | Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells. | - | 7 | pIC50 | ~100 | nM | IC50 | Bioorg Med Chem (2016) 24: 3752-7 [PMID:27338657] |
Sonic hedgehog protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5602] [UniProtKB: Q15465] | ||||||||
ChEMBL | Inhibition of human Shh-induced mouse C3H10T1/2 cell differentiation after 48 hrs by alkaline phosphatase reporter assay | B | 6.22 | pIC50 | 600 | nM | IC50 | ACS Med Chem Lett (2012) 3: 808-813 [PMID:23074541] |
Sonic hedgehog protein in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5387] [UniProtKB: Q62226] | ||||||||
ChEMBL | Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG | F | 5.88 | pIC50 | 1312 | nM | IC50 | Bioorg Med Chem (2009) 17: 4943-4954 [PMID:19541490] |
ChEMBL | Inhibition of N-terminal SHH activated pathway in mouse C3H10T1/2 cells assessed as SAG-induced cell differentiation by alkaline phosphatase assay | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 3608-3612 [PMID:21592788] |
ChEMBL | Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependent luciferase reporter gene assay | F | 6.52 | pIC50 | 300 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 3608-3612 [PMID:21592788] |
ChEMBL | Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay | F | 6.3 | pEC50 | 500 | nM | EC50 | J Med Chem (2009) 52: 3829-3845 [PMID:19309080] |
Zinc finger protein GLI1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5461] [UniProtKB: P08151] | ||||||||
ChEMBL | Inhibition of 100 nM SAG-stimulated Gli1 (unknown origin)-mediated transcriptional activity expressed in mouse Shh Light2 cells after 48 hrs by luciferase reporter gene assay | B | 5.3 | pIC50 | 5000 | nM | IC50 | Medchemcomm (2016) 7: 2328-2331 |
ChEMBL data shown on this page come from version 32:
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]