Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM331833'   

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 (Homo sapiens (Human))	BDBM331833 (US10189791, CDDO-3P-Im 3) Show SMILES CC1(C)CCC2(CCC3(C)C(C2C1)C(=O)C=C1C2(C)C=C(C#N)C(=O)C(C)(C)C2CCC31C)C(=O)n1cnc(c1)-c1cccnc1 |t:17,21| Show InChI InChI=1S/C39H46N4O3/c1-34(2)12-14-39(33(46)43-22-27(42-23-43)24-9-8-16-41-21-24)15-13-38(7)31(26(39)19-34)28(44)17-30-36(5)18-25(20-40)32(45)35(3,4)29(36)10-11-37(30,38)6/h8-9,16-18,21-23,26,29,31H,10-15,19H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whethe...				US Patent US10189791 (2019) BindingDB Entry DOI: 10.7270/Q2571F3P
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