BDBM41850 2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid::2-[(1R)-1-carboxy-2-(1-naphthyl)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid::2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid::2-[(2R)-3-naphthalen-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid::NCGC00161790-01::cid_16752640
SMILES: OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
InChI Key: InChIKey=CZNPWASYMRBJCX-GOSISDBHSA-N
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 |
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Beta-lactamase AmpC (Escherichia coli) | BDBM41850 (2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem Similars | PDB PCBioAssay | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NCGC Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH079825-01 Assay Provider: Shoichet, Bria... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2PG1Q4H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |