BDBM16245 2-(10-nitro-3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0^{2,6}]trideca-1,6,8,10,12-pentaen-4-yl)acetic acid::naphtho[1,2-d]isothiazole acetic acid deriv. 8

SMILES: OC(=O)CN1C(=O)c2c(ccc3c(cccc23)[N+]([O-])=O)S1(=O)=O

InChI Key: InChIKey=MBHJCWWOUYCTIN-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16245   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member B1 (Human)	BDBM16245 (2-(10-nitro-3,5,5-trioxo-5-thia-4-azatricyclo[7.4....) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	6.2	30
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