BDBM50142256 4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-ylmethyl)-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine::CHEMBL8332
SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1
InChI Key: InChIKey=YQGNXQWPWJAAKQ-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50142256 (4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity of the compound against ccytochrome P450 2C9 | Bioorg Med Chem Lett 14: 1031-4 (2004) Article DOI: 10.1016/j.bmcl.2003.11.052 BindingDB Entry DOI: 10.7270/Q2D50MCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial complex V; ATP synthase (Bos taurus) | BDBM50142256 (4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase | Bioorg Med Chem Lett 14: 1031-4 (2004) Article DOI: 10.1016/j.bmcl.2003.11.052 BindingDB Entry DOI: 10.7270/Q2D50MCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial complex V; ATP synthase (Bos taurus) | BDBM50142256 (4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase | Bioorg Med Chem Lett 14: 1031-4 (2004) Article DOI: 10.1016/j.bmcl.2003.11.052 BindingDB Entry DOI: 10.7270/Q2D50MCF | |||||||||||
More data for this Ligand-Target Pair |