xevinapant [Ligand Id: 7729] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2158051 (At-406, AT-406, D-1143, Debio 1143, DEBIO-1143, IAP INHIBITOR AT-406, MSC2735845A, SM-406, Xevinapant)
  • 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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  • 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]
GtoPdb Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli. - 8.72 pKi 1.9 nM Ki J Med Chem (2011) 54: 2714-26 [PMID:21443232]
ChEMBL Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 8.72 pKi 1.9 nM Ki J Med Chem (2011) 54: 2714-2726 [PMID:21443232]
ChEMBL Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA B 7.46 pIC50 35 nM IC50 J Med Chem (2019) 62: 9188-9200 [PMID:31550155]
ChEMBL Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA B 7.47 pIC50 34 nM IC50 J Med Chem (2019) 62: 9188-9200 [PMID:31550155]
ChEMBL Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 7.91 pIC50 12.3 nM IC50 J Med Chem (2011) 54: 2714-2726 [PMID:21443232]
baculoviral IAP repeat containing 3/Baculoviral IAP repeat-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5335] [GtoPdb: 2792] [UniProtKB: Q13489]
GtoPdb Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli. - 8.29 pKi 5.1 nM Ki J Med Chem (2011) 54: 2714-26 [PMID:21443232]
ChEMBL Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 8.29 pKi 5.1 nM Ki J Med Chem (2011) 54: 2714-2726 [PMID:21443232]
ChEMBL Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA B 6.88 pIC50 133 nM IC50 J Med Chem (2019) 62: 9188-9200 [PMID:31550155]
ChEMBL Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA B 7.36 pIC50 44 nM IC50 J Med Chem (2019) 62: 9188-9200 [PMID:31550155]
ChEMBL Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 7.66 pIC50 22.1 nM IC50 J Med Chem (2011) 54: 2714-2726 [PMID:21443232]
Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9]
ChEMBL Binding affinity to N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate B 5.05 pKd 9000 nM Kd Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339]
ChEMBL Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate B 4.87 pKi 13500 nM Ki Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339]
ChEMBL Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate B 5.39 pIC50 4100 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 Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 7.18 pKi 66.4 nM Ki J Med Chem (2011) 54: 2714-2726 [PMID:21443232]
GtoPdb Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli. - 7.18 pKi 66.4 nM Ki J Med Chem (2011) 54: 2714-26 [PMID:21443232]
ChEMBL Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay B 6.65 pIC50 225 nM IC50 J Med Chem (2011) 54: 2714-2726 [PMID:21443232]
ChEMBL Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA B 7.32 pIC50 47.8 nM IC50 J Med Chem (2019) 62: 9188-9200 [PMID:31550155]
ChEMBL Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA B 7.38 pIC50 42 nM IC50 J Med Chem (2019) 62: 9188-9200 [PMID:31550155]
ChEMBL Antagonist activity at full-length FLAG-tagged XIAP (unknown origin) transfected in HEK293 cells assessed as inhibition of interaction with caspase 9 after 2 hrs by immunoprecipitation assay B 7.47 pEC50 34 nM EC50 J Med Chem (2015) 58: 6574-6588 [PMID:26218264]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]