null
SMILES: CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1CNc1ccccn1)OCC(=O)NC[C@H](NC(=O)C1(C)CCCCC1)C(O)=O
InChI Key: InChIKey=SMNXQFKEUFRQPU-BDTNDASRSA-N
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-V/beta-5 (Homo sapiens (Human)) | BDBM50217427 (2S,3R,5S-3-{2-[1-(3,3-dimethyl-butyryl)-5-(pyridin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta5 receptor by ELISA | J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-5/beta-1 (Homo sapiens (Human)) | BDBM50217427 (2S,3R,5S-3-{2-[1-(3,3-dimethyl-butyryl)-5-(pyridin...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG Curated by ChEMBL | Assay Description Inhibition of integrin alpha5beta1 receptor by ELISA | J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50217427 (2S,3R,5S-3-{2-[1-(3,3-dimethyl-butyryl)-5-(pyridin...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta3 receptor by ELISA | J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50217427 (2S,3R,5S-3-{2-[1-(3,3-dimethyl-butyryl)-5-(pyridin...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG Curated by ChEMBL | Assay Description Inhibition of integrin alpha2bbeta3 receptor by ELISA | J Med Chem 50: 3786-94 (2007) Article DOI: 10.1021/jm070002v BindingDB Entry DOI: 10.7270/Q2PG1RFZ | |||||||||||
More data for this Ligand-Target Pair |