BDBM50233673 (+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid::2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid::2-[4-(1-Oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid::CHEMBL15870::INDOPROFEN::cid_3718
SMILES: CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
InChI Key: InChIKey=RJMIEHBSYVWVIN-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Liver fatty acid binding protein (rat L-FABP) (Rattus norvegicus (Rat)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co... | J Med Chem 51: 3755-64 (2008) Article DOI: 10.1021/jm701192w BindingDB Entry DOI: 10.7270/Q2KH0P7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Liver fatty acid binding protein (rat L-FABP) (Rattus norvegicus (Rat)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 1.61E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by com... | J Med Chem 51: 3755-64 (2008) Article DOI: 10.1021/jm701192w BindingDB Entry DOI: 10.7270/Q2KH0P7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-5 (Homo sapiens (Human)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-9 (Homo sapiens (Human)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-1 (Homo sapiens (Human)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor NF-kappa-B (Homo sapiens (Human)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-4 (Homo sapiens (Human)) | BDBM50233673 ((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado | Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... | Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX | |||||||||||
More data for this Ligand-Target Pair |