BDBM50146492 3-Benzo[1,3]dioxol-5-yl-3-({1-[2-fluoro-5-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-phenyl]-5-oxo-pyrrolidine-3-carbonyl}-amino)-propionic acid::CHEMBL99667
SMILES: OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cc(NC2=NCCCN2)ccc1F)c1ccc2OCOc2c1
InChI Key: InChIKey=CPOXHOJHCZSECN-UHFFFAOYSA-N
Data: 1 KI
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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ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50146492 (3-Benzo[1,3]dioxol-5-yl-3-({1-[2-fluoro-5-(1,4,5,6...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). | Bioorg Med Chem Lett 14: 2905-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.033 BindingDB Entry DOI: 10.7270/Q2416WJD | |||||||||||
More data for this Ligand-Target Pair |