BDBM50138318 (5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzenesulfonylamino)-ethylcarbamoyl]-8-(pyridin-2-ylaminomethyl)-1-oxa-2,7-diaza-spiro[4.4]non-2-ene-7-carboxylic acid benzyl ester::CHEMBL338439
SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O
InChI Key: InChIKey=IBXMYCNAAVLIET-SUPILHGUSA-N
Data: 5 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)) | BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Napoli Federico II Curated by ChEMBL | Assay Description Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor | J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Napoli Federico II Curated by ChEMBL | Assay Description Inhibition of alpha5-beta1 integrin receptor in ELISA | J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3... | Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB1 (Homo sapiens (Human)) | BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Alpha-5 beta-1 antagonism using an ELISA assay | Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50138318 ((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...) | 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+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Napoli Federico II Curated by ChEMBL | Assay Description Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma | J Med Chem 48: 4204-7 (2005) Article DOI: 10.1021/jm040224i BindingDB Entry DOI: 10.7270/Q2CZ36NT | |||||||||||
More data for this Ligand-Target Pair |