cyclopamine [Ligand Id: 10328] activity data from GtoPdb and ChEMBL

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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
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 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]