BDBM50006289 6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,17-pentaoxo-18-(2-trifluoromethyl-phenyl)-1-thia-4,7,10,13,16-pentaaza-cyclooctadecane-3-carboxylic acid::CHEMBL431952
SMILES: NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccccc1C(F)(F)F
InChI Key: InChIKey=JUSVWLUTQHJJFB-TVISWJTBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50006289 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma | J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50006289 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description The compound was tested for the inhibition of fibrinogen receptor | J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50006289 (6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description The compound was tested for the inhibition of fibrinogen receptor | J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q | |||||||||||
More data for this Ligand-Target Pair |