BDBM50313794 (S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanamido)-4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy)phenyl)-2-(3-(trifluoromethyl)phenylsulfonamido)propanoic acid::CHEMBL1077191
SMILES: NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1
InChI Key: InChIKey=UDGWKAUBGPXUNT-BHVANESWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50313794 ((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Catholique de Louvain Curated by ChEMBL | Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay | Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B | |||||||||||
More data for this Ligand-Target Pair |