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, DEBIO-1143, IAP INHIBITOR AT-406, 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 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]