BDBM32580 CS-3
SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1
InChI Key: InChIKey=HNXBUVYVPBCESY-WJNSRDFLSA-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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cIAP-1 BIR3 (Homo sapiens (Human)) | BDBM32580 (CS-3) | B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 16 | -10.5 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 4: 557-66 (2009) Article DOI: 10.1021/cb900083m BindingDB Entry DOI: 10.7270/Q2DJ5D0Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cIAP-2 BIR3 (Homo sapiens (Human)) | BDBM32580 (CS-3) | B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 85 | -9.54 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 4: 557-66 (2009) Article DOI: 10.1021/cb900083m BindingDB Entry DOI: 10.7270/Q2DJ5D0Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Zika virus) | BDBM32580 (CS-3) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PubMed | 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University Curated by ChEMBL | Assay Description Inhibition of Zika virus NS2B-NS3 protease | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XIAP-BIR3 (Homo sapiens (Human)) | BDBM32580 (CS-3) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | >3.40E+4 | >-6.03 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 4: 557-66 (2009) Article DOI: 10.1021/cb900083m BindingDB Entry DOI: 10.7270/Q2DJ5D0Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM32580 (CS-3) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Ningxia Medical University Curated by ChEMBL | Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay | J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM32580 (CS-3) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a |
Ningxia Medical University Curated by ChEMBL | Assay Description Binding affinity to cIAP1-BIR3 domain (unknown origin) | J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human)) | BDBM32580 (CS-3) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a |
Ningxia Medical University Curated by ChEMBL | Assay Description Binding affinity to cIAP2-BIR3 domain (unknown origin) | J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 | |||||||||||
More data for this Ligand-Target Pair |