BDBM50107411 (S)-3-(2-Oxo-2,3-dihydro-benzooxazol-6-yl)-3-(2-{(S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethyl]-pyrrolidin-1-yl}-acetylamino)-propionic acid::CHEMBL114418
SMILES: OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1ccc2[nH]c(=O)oc2c1
InChI Key: InChIKey=HTULCSBVNFKESE-JXFKEZNVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50107411 ((S)-3-(2-Oxo-2,3-dihydro-benzooxazol-6-yl)-3-(2-{(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin | Bioorg Med Chem Lett 12: 31-4 (2001) BindingDB Entry DOI: 10.7270/Q24J0G8R | |||||||||||
More data for this Ligand-Target Pair |