ANTA XV [Ligand Id: 10334] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL485870
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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 Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay B 8.1 pIC50 8 nM IC50 J. Med. Chem. (2009) 52: 3954-3968 [PMID:19469545]
SMO/Smoothened homolog in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6080] [GtoPdb: 239] [UniProtKB: P56726]
ChEMBL Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay B 7.46 pIC50 35 nM IC50 J. Med. Chem. (2009) 52: 3954-3968 [PMID:19469545]
GtoPdb Gli-luc reporter assay. - 8.15 pIC50 7.1 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 3048-3051 [PMID:27180012]
ChEMBL Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay B 8.3 pIC50 5 nM IC50 J. Med. Chem. (2009) 52: 3954-3968 [PMID:19469545]
ChEMBL Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay B 8.57 pIC50 2.7 nM IC50 J. Med. Chem. (2009) 52: 3954-3968 [PMID:19469545]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]