BDBM50495451 CHEMBL3108827
SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1
InChI Key: InChIKey=WLMCRYCCYXHPQF-ZVMUOSSASA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50495451 (CHEMBL3108827) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR2 domain (R214 to P260) (unknown origin) after 20 mins by fluorescence polarization assay | J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human)) | BDBM50495451 (CHEMBL3108827) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of AbuRPFK-5FAM from GST-tagged cIAP2 BIR3 domain (I235 to A336) (unknown origin) after 20 mins by fluorescence polarization assay | J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50495451 (CHEMBL3108827) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay | J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50495451 (CHEMBL3108827) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR3 domain (N252 to E350) (unknown origin) after 20 mins by fluorescence polarization assay | J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50495451 (CHEMBL3108827) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA | J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C | |||||||||||
More data for this Ligand-Target Pair |