BDBM50288117 CHEMBL83756::{2-[2-(4-Fluoro-phenyl)-ethyl]-7-[methyl-(2-piperidin-4-yl-ethyl)-carbamoyl]-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl}-acetic acid
SMILES: CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccc(F)cc3)C(=O)C(CC(O)=O)Cc2c1
InChI Key: InChIKey=GFBIYISHVPCCGE-UHFFFAOYSA-N
Data: 1 KI
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)) | BDBM50288117 (CHEMBL83756 | {2-[2-(4-Fluoro-phenyl)-ethyl]-7-[me...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro binding affinity against human alpha IIb beta3 integrin | Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4 | |||||||||||
More data for this Ligand-Target Pair |