BDBM279572 (3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5-((5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino)benzamido)acetamido)propanoic acid::US10035778, Example 13::US10577330, Example 13
SMILES: OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1
InChI Key: InChIKey=PEFBVOAICYLSAF-SFHVURJKSA-N
Data: 14 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA8/ITGB1 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB1 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Recombinant human vitronectin (R& D Systems, 2308-VN) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2,... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM ... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM M... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB8 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, ... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha5beta1 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha8beta1 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alphavbeta1 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Purified human fibronectin (R&D Systems, 1918-FN) diluted to 5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 m... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Recombinant human vitronectin (R& D Systems, 2308-VN) diluted to 1 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2,... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Recombinant human vitronectin (R& D Systems, 2308-VN) at 0.25 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha5beta6 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Louis University US Patent | Assay Description Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, ... | US Patent US10577330 (2020) BindingDB Entry DOI: 10.7270/Q2862JVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB8 (Homo sapiens (Human)) | BDBM279572 ((3S)-3-[3-bromo-5-fluoro-phenyl)-3-(2-(3-hydroxy-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Saint Louis University US Patent | Assay Description Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 μg/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM C... | US Patent US10035778 (2018) BindingDB Entry DOI: 10.7270/Q24M96KK | |||||||||||
More data for this Ligand-Target Pair |