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SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](-[#8])=O)cc1
InChI Key: InChIKey=JANXNGXRGZTCLF-QONNLAFFSA-N
| 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 (Homo sapiens (Human)) | BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL | Assay Description Inhibition of integrin alphaV receptor-mediated adhesion of human PC3 cells to vitronectin after 1 hr by toluidine blue staining | Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta3 receptor-mediated adhesion of human A498 cells to vitronectin after 1 hr by toluidine blue staining | Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 receptor after 3 hrs by gamma counting | Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A2780 cells to vitronectin after 1 hr by toluidine blue staining | Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting | Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A498 cells to vitronectin after 1 hr by toluidine blue staining | Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
