BDBM50186224 3-({4-[4-(4-{2-[4-(but-1-en-2-yl)-2,3-dichlorophenoxy]acetamido}butanamido)butanamido]butanamido}methyl)-5-({4-[4-(4-{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamido}butanamido)butanamido]butanamido}methyl)benzamide::CHEMBL216505
SMILES: CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)COc3ccc(C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
InChI Key: InChIKey=ZEZQAPSIRNZFJU-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)) | BDBM50186224 (3-({4-[4-(4-{2-[4-(but-1-en-2-yl)-2,3-dichlorophen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 98.9 | 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)) | BDBM50186224 (3-({4-[4-(4-{2-[4-(but-1-en-2-yl)-2,3-dichlorophen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 142 | 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 |