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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) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]