BDBM166691 4-{3-[(1-carboxylato-4-{[iminiumyl(nitroamino)methyl]amino}butyl)carbamoyl]propyl}-1,1,1-triformyl-3-oxo-2-oxa-6,7-diaza-1-rhenabicyclo[2.2.1]heptane-6,7-diium (Re5)
SMILES: [O-]C(=O)C(CCCNC(=[NH2+])N[N+]([O-])=O)NC(=O)CCCC12C[NH2+][Re]([NH2+]1)(OC2=O)(C=O)(C=O)C=O
InChI Key: InChIKey=IXUYILDDHHIVDI-UHFFFAOYSA-M
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 |
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Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM166691 (4-{3-[(1-carboxylato-4-{[iminiumyl(nitroamino)meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa | Assay Description The iNOS activity assay was based on the method of hemoglobin assay previously described with slight modifications. The activity of the enzyme was de... | Chem Biol Drug Des 86: 1072-86 (2015) Article DOI: 10.1111/cbdd.12575 BindingDB Entry DOI: 10.7270/Q2ST7NMM | |||||||||||
More data for this Ligand-Target Pair |