BDBM50139220 3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyridin-3-yl-propionic acid::CHEMBL347456
SMILES: NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
InChI Key: InChIKey=ZOVIFDVUAAMLCU-UHFFFAOYSA-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)) | BDBM50139220 (3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Curated by ChEMBL | Assay Description Inhibitory activity against alpha IIb beta3 integrin | Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50139220 (3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Curated by ChEMBL | Assay Description Inhibitory activity against alphaV-beta3 integrin | Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q | |||||||||||
More data for this Ligand-Target Pair |