null
SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Baculoviral IAP repeat-containing protein 2 [253-363] (Homo sapiens (Human)) | BDBM422063 (US10508103, Embodiment 16) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
MEDSHINE DISCOVERY INC. US Patent | Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch... | US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor necrosis factor (Homo sapiens (Human)) | BDBM422063 (US10508103, Embodiment 16) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | <10 | n/a | n/a | n/a | n/a |
MEDSHINE DISCOVERY INC. US Patent | Assay Description First day:Dilution of Compounds: 1) tested compounds were added into DMSO to give parent liquor (10 mM); 2) reference compound Birinapant (32 &... | US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human)) | BDBM422063 (US10508103, Embodiment 16) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
MEDSHINE DISCOVERY INC. US Patent | Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch... | US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 3 [238-349] (Homo sapiens (Human)) | BDBM422063 (US10508103, Embodiment 16) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
MEDSHINE DISCOVERY INC. US Patent | Assay Description 1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Bioch... | US Patent US10508103 (2019) BindingDB Entry DOI: 10.7270/Q25141MH | |||||||||||
More data for this Ligand-Target Pair |