BDBM300927 US10131658, Compound 197
SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc2-[#6](=[#6]-3-[#6]=[#6]\[#6](-[#6]-[#6]-3-[#8]-c2c1)=[#7+](/[#6]-[#6])-[#6]-[#6])-c1ccc(cc1S([#8-])(=O)=O)S(=O)(=O)[#7]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1
InChI Key: InChIKey=ISXTXHGLEHLPFN-VDZYBIEISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha5beta1 (Homo sapiens (Human)) | BDBM300927 (US10131658, Compound 197) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
The Regents of the University of California US Patent | Assay Description A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins... | US Patent US10131658 (2018) BindingDB Entry DOI: 10.7270/Q2SX6G8Q | |||||||||||
More data for this Ligand-Target Pair |