BDBM50346315 (S)-3-(2-fluoro-4-((S)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl)benzamido)-2-(phenylsulfonamido)propanoic acid::CHEMBL1782662
SMILES: [#8]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1ccc(cc1F)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]S(=O)(=O)c1ccccc1
InChI Key: InChIKey=NGWFKQKKCNUAJQ-JTSKRJEESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50346315 ((S)-3-(2-fluoro-4-((S)-3-(1,4,5,6-tetrahydropyrimi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta3 integrin receptor human VSMC assessed as inhibition of vitronectin-induced cell adhesion | J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50346315 ((S)-3-(2-fluoro-4-((S)-3-(1,4,5,6-tetrahydropyrimi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta3 integrin receptor | J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50346315 ((S)-3-(2-fluoro-4-((S)-3-(1,4,5,6-tetrahydropyrimi...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Antagonist activity at alpha2bbeta3 integrin receptor | J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30 | |||||||||||
More data for this Ligand-Target Pair |