BDBM50392277 CHEMBL2153645
SMILES: [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccc(-[#8]-[#6](=O)-[#7]-5-[#6]-[#6]-[#7](-[#6]-[#6]-5)-[#6](=O)-c5ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-6-[#6]-[#6]-[#7](-[#6]-[#6]-6)-c6cccc(c6)\[#7]=[#6]-6/[#7]-[#6]-[#6]-[#6]-[#7]-6)-[#6](-[#8])=O)cc5)cc4c(\[#6]=[#7]\[#8]C([#6])([#6])[#6])c3-[#6]-n1c2=O
InChI Key: InChIKey=MJIZYHGNHUTXIR-WBRXUAKLSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50392277 (CHEMBL2153645) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.83 | n/a | n/a | n/a | n/a | n/a | n/a |
sigma-tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from integrin alpha5beta3 after 3 hrs by gamma counter | Bioorg Med Chem Lett 22: 6509-12 (2012) Article DOI: 10.1016/j.bmcl.2012.07.061 BindingDB Entry DOI: 10.7270/Q2GM88DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50392277 (CHEMBL2153645) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
sigma-tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin expressed in PC3 cells | Bioorg Med Chem Lett 22: 6509-12 (2012) Article DOI: 10.1016/j.bmcl.2012.07.061 BindingDB Entry DOI: 10.7270/Q2GM88DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50392277 (CHEMBL2153645) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
sigma-tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin over expressed in A2780 cells | Bioorg Med Chem Lett 22: 6509-12 (2012) Article DOI: 10.1016/j.bmcl.2012.07.061 BindingDB Entry DOI: 10.7270/Q2GM88DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50392277 (CHEMBL2153645) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
sigma-tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from integrin alpha5beta5 after 3 hrs by gamma counter | Bioorg Med Chem Lett 22: 6509-12 (2012) Article DOI: 10.1016/j.bmcl.2012.07.061 BindingDB Entry DOI: 10.7270/Q2GM88DW | |||||||||||
More data for this Ligand-Target Pair |