BDBM165194 4‐Chloro‐7‐nitro‐3‐[(5‐phenylpentyl)oxy]isochromen‐1‐one (21)
SMILES: [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
InChI Key: InChIKey=VKSNRCDTOIDGQI-UHFFFAOYSA-N
Data: 9 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rhomboid protease (AaROM) (Aquifex aeolicus (Aquificales)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (PhROM) (Pyrococcus horikoshii (Euryarchaeotes)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (TmROM) (Thermotoga maritima (Thermotogales)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (VcROM) (Vibrio cholerae (g-Proteobacteria)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (MmRHBDL3) (Mus musculus (Mouse)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (HiGlpG) (Haemophilus influenzae (g-Proteobacteria)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (BsYqgP) (Bacillus subtilis (Firmicutes)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (MmRHBDL1) (Mus musculus (Mouse)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease (PsAarA) (Providencia stuartii (Enterobacteria)) | BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair |