Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM166691'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM166691 (4-{3-[(1-carboxylato-4-{[iminiumyl(nitroamino)meth...) Show 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 Show InChI InChI=1S/C13H25N7O7.3CHO.Re/c14-7-13(16,11(24)25)5-1-4-9(21)18-8(10(22)23)3-2-6-17-12(15)19-20(26)27;3*1-2;/h8H,1-7,14,16H2,(H,18,21)(H,22,23)(H,24,25)(H3,15,17,19);3*1H;/q;;;;+3/p-1	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
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