BDBM50209450 (beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5,6-tetrahydro-2-pyrimidinyl)-amino]-5-hydroxybenzoyl]amino]-acetyl]amino]-2-hydroxybenzenepropionic acid::CHEMBL390267
SMILES: [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
InChI Key: InChIKey=ILGKSKZHUCGGFE-KRWDZBQOSA-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 alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50209450 ((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells | Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4 | |||||||||||
More data for this Ligand-Target Pair |