BDBM50101776 3-Benzo[1,3]dioxol-5-yl-3-({5-[(E)-2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-vinyl]-thiophene-2-carbonyl}-amino)-propionic acid::CHEMBL432687
SMILES: NC(=N)NC(=O)\C=C\c1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1
InChI Key: InChIKey=NJUTYNHAKLZIIY-ZZXKWVIFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50101776 (3-Benzo[1,3]dioxol-5-yl-3-({5-[(E)-2-(1,4,5,6-tetr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50% | Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50101776 (3-Benzo[1,3]dioxol-5-yl-3-({5-[(E)-2-(1,4,5,6-tetr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50% | Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50101776 (3-Benzo[1,3]dioxol-5-yl-3-({5-[(E)-2-(1,4,5,6-tetr...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50% | Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930 | |||||||||||
More data for this Ligand-Target Pair |