BDBM50230455 (4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoyl}-4-{[(2S,3S)-1-({1-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-4-carboxy-2-{[(2S)-1-{5-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-yl}carbamothioyl)amino]pentanoyl}pyrrolidin-2-yl]formamido}butanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]propanoyl]piperidin-2-yl}carbonyl)-3-{[(Z)-(3-carboxypropylidene)amino]oxy}pyrrolidin-2-yl]formamido}butanoic acid::CHEMBL411417
SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1CC[C@H](O\N=C/CCC(O)=O)[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
InChI Key: InChIKey=IZOLRNLJOOOHIS-NXCGDWDGSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tumor susceptibility gene 101 protein (Homo sapiens (Human)) | BDBM50230455 ((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NIH Curated by ChEMBL | Assay Description Binding affinity to Tsg101 | Bioorg Med Chem Lett 18: 1096-101 (2008) Article DOI: 10.1016/j.bmcl.2007.12.003 BindingDB Entry DOI: 10.7270/Q2930V0S | |||||||||||
More data for this Ligand-Target Pair |