BDBM50079440 CHEMBL103214::[(2R,5R,8R,11S)-5-Benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid
SMILES: CC(C)[C@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
InChI Key: InChIKey=AMLYAMJWYAIXIA-JZJXAQOMSA-N
Data: 2 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)) | BDBM50079440 (CHEMBL103214 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universität München Curated by ChEMBL | Assay Description Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen | J Med Chem 42: 3033-40 (1999) Article DOI: 10.1021/jm970832g BindingDB Entry DOI: 10.7270/Q2CN733T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50079440 (CHEMBL103214 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universität München Curated by ChEMBL | Assay Description Inhibition of alpha IIb beta3 integrin binding to fibrinogen | J Med Chem 42: 3033-40 (1999) Article DOI: 10.1021/jm970832g BindingDB Entry DOI: 10.7270/Q2CN733T | |||||||||||
More data for this Ligand-Target Pair |