BDBM50162756 (3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid::CHEMBL369530
SMILES: COc1ccc(cn1)[C@@H](CCC[C@@H](O)CCc1ccc2CCCNc2n1)CC(O)=O
InChI Key: InChIKey=LPDONRQJLDDGHH-FXAWDEMLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50162756 ((3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation (PLAGGIN15) | Bioorg Med Chem Lett 15: 1647-50 (2005) Article DOI: 10.1016/j.bmcl.2005.01.051 BindingDB Entry DOI: 10.7270/Q25D8RBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50162756 ((3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t... | Bioorg Med Chem Lett 15: 1647-50 (2005) Article DOI: 10.1016/j.bmcl.2005.01.051 BindingDB Entry DOI: 10.7270/Q25D8RBX | |||||||||||
More data for this Ligand-Target Pair |