BDBM203861 (5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophenyl)ethenyl] benzenesulfonic acid disodium salt (Compound 22)::NSC 378144
SMILES: CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
InChI Key: InChIKey=JHOKKBDKGXRSTJ-DUXPYHPUSA-L
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human)) | BDBM203861 ((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human APE1 using double-stranded DNA as substrate preincubated for 15 mins followed by substrate addition measured at 1 min... | Bioorg Med Chem 25: 2531-2544 (2017) Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human)) | BDBM203861 ((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Universidade de Lisboa | Assay Description In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ... | Chem Biol Drug Des 88: 915-925 (2016) Article DOI: 10.1111/cbdd.12826 BindingDB Entry DOI: 10.7270/Q2Q52NGR | |||||||||||
More data for this Ligand-Target Pair |