BDBM50054478 CHEMBL343123::[(2S,5R,11S,14S)-11-Carboxymethyl-5,14-bis-(3-guanidino-propyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16hexaaza-cyclooctadec-2-yl]-acetic acid
SMILES: NC(=N)NCCC[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
InChI Key: InChIKey=HMPCDKMNIXCKFR-CRWXNKLISA-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)) | BDBM50054478![]() (CHEMBL343123 | [(2S,5R,11S,14S)-11-Carboxymethyl-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A& M University Curated by ChEMBL | Assay Description Inhibition of alphaV-beta3 interaction with vitronectin | J Med Chem 39: 4520-6 (1996) Article DOI: 10.1021/jm960276a BindingDB Entry DOI: 10.7270/Q2X06885 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50054478![]() (CHEMBL343123 | [(2S,5R,11S,14S)-11-Carboxymethyl-5...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A& M University Curated by ChEMBL | Assay Description Inhibition of human platelet aggregation mediated by alpha llb/beta3 interaction with fibrinogen | J Med Chem 39: 4520-6 (1996) Article DOI: 10.1021/jm960276a BindingDB Entry DOI: 10.7270/Q2X06885 | |||||||||||
More data for this Ligand-Target Pair |