BDBM50276747 CHEMBL443362::c[RGDf-(3R)-Carboxymorpholine]
SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
InChI Key: InChIKey=HKLGBIAIHDSNGD-INDMIFKZSA-N
Data: 3 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 (Homo sapiens (Human)) | BDBM50276747![]() (CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine]) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 32.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter | Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50276747![]() (CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine]) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Displacement of [125I] echistatin from alphaVbeta3 integrin isolated from human placenta after 3 hrs by liquid scintillation counter | J Med Chem 55: 5024-33 (2012) Article DOI: 10.1021/jm2016232 BindingDB Entry DOI: 10.7270/Q2FQ9XPF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V (Homo sapiens (Human)) | BDBM50276747![]() (CHEMBL443362 | c[RGDf-(3R)-Carboxymorpholine]) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter | Bioorg Med Chem 17: 1542-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.006 BindingDB Entry DOI: 10.7270/Q2NC613B | |||||||||||
More data for this Ligand-Target Pair |