SM-122 [Ligand Id: 8855] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL481422 (SM-122)
  • baculoviral IAP repeat containing 2/Baculoviral IAP repeat-containing protein 2 in Human [ChEMBL: CHEMBL5462] [GtoPdb: 2791] [UniProtKB: Q13490]
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  • baculoviral IAP repeat containing 3/Baculoviral IAP repeat-containing protein 3 in Human [ChEMBL: CHEMBL5335] [GtoPdb: 2792] [UniProtKB: Q13489]
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  • baculoviral IAP repeat containing 8/Baculoviral IAP repeat-containing protein 8 in Human [ChEMBL: CHEMBL5851] [GtoPdb: 2797] [UniProtKB: Q96P09]
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  • X-linked inhibitor of apoptosis/Inhibitor of apoptosis protein 3 in Human [ChEMBL: CHEMBL4198] [GtoPdb: 2790] [UniProtKB: P98170]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
baculoviral IAP repeat containing 2/Baculoviral IAP repeat-containing protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5462] [GtoPdb: 2791] [UniProtKB: Q13490]
ChEMBL Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay B 7.74 pKi 18 nM Ki J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay B 8.17 pKi 6.8 nM Ki J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 8.17 pKi 6.7 nM Ki J. Med. Chem. (2010) 53: 6361-6367 [PMID:20684551]
ChEMBL Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay B 8.17 pKi 6.7 nM Ki J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
GtoPdb - - 9 pKi 1 nM Ki J Med Chem (2008) 51: 8158-62 [PMID:19049347]
ChEMBL Displacement of fluorescently tagged SM5F from human cIAP-1 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay B 9 pKi 1 nM Ki J. Med. Chem. (2008) 51: 8158-8162 [PMID:19049347]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 9.1 pKi 0.8 nM Ki J. Med. Chem. (2009) 52: 593-596 [PMID:19138149]
ChEMBL Competitive inhibition of human cIAP1BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization assay B 7.22 pIC50 60 nM IC50 J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 7.34 pIC50 46.2 nM IC50 J. Med. Chem. (2010) 53: 6361-6367 [PMID:20684551]
ChEMBL Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay B 7.34 pIC50 46.2 nM IC50 J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay B 7.42 pIC50 38 nM IC50 J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
baculoviral IAP repeat containing 3/Baculoviral IAP repeat-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5335] [GtoPdb: 2792] [UniProtKB: Q13489]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 7.74 pKi 18.3 nM Ki J. Med. Chem. (2010) 53: 6361-6367 [PMID:20684551]
ChEMBL Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay B 7.74 pKi 18.3 nM Ki J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay B 7.74 pKi 18 nM Ki J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 8.74 pKi 1.84 nM Ki J. Med. Chem. (2009) 52: 593-596 [PMID:19138149]
GtoPdb - - 8.74 pKi 1.8 nM Ki J Med Chem (2008) 51: 8158-62 [PMID:19049347]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 7.13 pIC50 74.7 nM IC50 J. Med. Chem. (2010) 53: 6361-6367 [PMID:20684551]
ChEMBL Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay B 7.13 pIC50 74.7 nM IC50 J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay B 7.15 pIC50 70 nM IC50 J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
baculoviral IAP repeat containing 8/Baculoviral IAP repeat-containing protein 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5851] [GtoPdb: 2797] [UniProtKB: Q96P09]
ChEMBL Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay B 8.74 pKi 1.8 nM Ki J. Med. Chem. (2008) 51: 8158-8162 [PMID:19049347]
Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9]
ChEMBL Inhibition of Zika virus NS2B-NS3 protease B 7 pIC50 100 nM IC50 Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339]
X-linked inhibitor of apoptosis/Inhibitor of apoptosis protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4198] [GtoPdb: 2790] [UniProtKB: P98170]
ChEMBL Binding affinity to XIAP-BIR3 domain (unknown origin) B 7.59 pKd 26 nM Kd J Med Chem (2019) 62: 5750-5772 [PMID:30676015]
ChEMBL Binding affinity to BIR2 domain of XIAP by fluorescence polarization assay B 5.09 pKi 8200 nM Ki J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 6.39 pKi 408 nM Ki J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay B 6.39 pKi 408 nM Ki J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Binding affinity to His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization-based assay B 6.61 pKi 248 nM Ki J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay B 6.72 pKi 191 nM Ki J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 6.72 pKi 190.7 nM Ki J. Med. Chem. (2010) 53: 6361-6367 [PMID:20684551]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 7.59 pKi 26 nM Ki J. Med. Chem. (2009) 52: 593-596 [PMID:19138149]
ChEMBL Binding affinity to N-terminal 6xHis-tagged human cloned XIAP BIR3 domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization-based competitive binding assay B 7.59 pKi 26 nM Ki J. Med. Chem. (2008) 51: 7169-7180 [PMID:18954041]
GtoPdb - - 7.59 pKi 26 nM Ki J Med Chem (2008) 51: 8158-62 [PMID:19049347]
ChEMBL Binding affinity to BIR2 domain of XIAP by fluorescence polarization assay B 4.72 pIC50 18900 nM IC50 J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Binding affinity to XIAP-BIR2 domain (unknown origin) B 5.25 pIC50 5600 nM IC50 J Med Chem (2019) 62: 5750-5772 [PMID:30676015]
ChEMBL Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 5.91 pIC50 1240 nM IC50 J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay B 5.91 pIC50 1240 nM IC50 J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Competitive inhibition of His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 6.09 pIC50 819 nM IC50 J. Med. Chem. (2011) 54: 3306-3318 [PMID:21462933]
ChEMBL Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay B 6.2 pIC50 636 nM IC50 J. Med. Chem. (2012) 55: 106-114 [PMID:22148838]
ChEMBL Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay B 6.2 pIC50 635.7 nM IC50 J. Med. Chem. (2010) 53: 6361-6367 [PMID:20684551]
ChEMBL Binding affinity to XIAP-BIR2/BIR3 domain (unknown origin) B 6.36 pIC50 438 nM IC50 J Med Chem (2019) 62: 5750-5772 [PMID:30676015]
ChEMBL Inhibition of of XIAP-BIR2/BIR3 domain (unknown origin) B 6.36 pIC50 438 nM IC50 J Med Chem (2019) 62: 5750-5772 [PMID:30676015]
ChEMBL Antagonist activity at human recombinant XIAP BIR3 protein assessed as restoration of caspase 9 activity after 60 mins F 6.2 pEC50 630 nM EC50 J. Med. Chem. (2008) 51: 7169-7180 [PMID:18954041]

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]