null
SMILES: [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]-[#6]-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O
InChI Key: InChIKey=LHDRGDKBCVAGOV-UFMZGVITSA-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)) | BDBM50308722 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) | 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 | 1.10E+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)) | BDBM50308722 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | 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)) | BDBM50308722 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) | 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 | 23 | 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)) | BDBM50308722 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) | 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 | 1.29E+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 |