BDBM50152791 (S)-2-((1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-ylmethanesulfonylamino)-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid::CHEMBL181758
SMILES: CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc3CCCNc3n1)C(O)=O)C(=O)C2
InChI Key: InChIKey=QFKUDHXQVSUGKR-ZTEVPRNISA-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 |
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ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50152791 ((S)-2-((1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]he...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of alpha v beta 3 receptor binding | Bioorg Med Chem Lett 14: 4411-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.068 BindingDB Entry DOI: 10.7270/Q2PZ5B0H | |||||||||||
More data for this Ligand-Target Pair |