BDBM228817 IspH inhibitor, 8
SMILES: CCN1CCN2C(C1)C1(Cc3cc(N)ccc23)C(=O)NC(=O)NC1=O
InChI Key: InChIKey=SDBQGOIYIMOMTJ-UHFFFAOYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) (Pseudomonas aeruginosa) | BDBM228817 (IspH inhibitor, 8) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois | Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and... | Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB | |||||||||||
More data for this Ligand-Target Pair |