BDBM50092509 (S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino}-2-benzenesulfonylamino-propionic acid::3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino}-2-benzenesulfonylamino-propionic acid::CHEMBL123374
SMILES: Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1
InChI Key: InChIKey=WBIUNXVKIMTWNG-FQEVSTJZSA-N
Data: 4 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)) | BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) | J Med Chem 46: 5316-25 (2003) Article DOI: 10.1021/jm030146j BindingDB Entry DOI: 10.7270/Q23R0S9P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor | J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3 | J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assay | J Med Chem 46: 5316-25 (2003) Article DOI: 10.1021/jm030146j BindingDB Entry DOI: 10.7270/Q23R0S9P | |||||||||||
More data for this Ligand-Target Pair |