BDBM50186225 3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phenoxy)acetamido)propanamido)methyl)-5-((3-(2-(2,3-dichloro-4-methacryloylphenoxy)acetamido)propanamido)methyl)benzamide::CHEMBL211727
SMILES: CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
InChI Key: InChIKey=MWHBQTGGDSVKIF-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glutathione S-transferase (GST) (Homo sapiens (Human)) | BDBM50186225 (3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems Curated by ChEMBL | Assay Description Inhibition of GST A1-1 | Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutathione transferase (GST) (Homo sapiens (Human)) | BDBM50186225 (3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntrix Biosytems Curated by ChEMBL | Assay Description Inhibition of GST P1-1 | Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV | |||||||||||
More data for this Ligand-Target Pair |