BDBM50083764 CHEMBL421533::[3-Oxo-8-[3-(pyridin-2-ylamino)-propoxy]-2-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl]-acetic acid
SMILES: OC(=O)CC1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O
InChI Key: InChIKey=PVDGZHKJXXVONO-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50083764 (CHEMBL421533 | [3-Oxo-8-[3-(pyridin-2-ylamino)-pro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for Vitronectin receptor (alpha V beta 3) | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50083764 (CHEMBL421533 | [3-Oxo-8-[3-(pyridin-2-ylamino)-pro...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alpha IIb beta3 integrin | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50083764 (CHEMBL421533 | [3-Oxo-8-[3-(pyridin-2-ylamino)-pro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description HEK cell adhesion mediated by alpha v beta 3 integrin | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair |