Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50006903   

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))	BDBM50055280 (2-(2-Fluoro-ethyl)-isothiourea | CHEMBL148951) Show SMILES NC(=N)SCCF Show InChI InChI=1S/C3H7FN2S/c4-1-2-7-3(5)6/h1-2H2,(H3,5,6)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Medical School Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory potencies using human Inducible nitric oxide synthase (hiNOS)				J Med Chem 39: 5110-8 (1997) Article DOI: 10.1021/jm960481q BindingDB Entry DOI: 10.7270/Q29W0DKZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50055281 (2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...) Show SMILES CCSC(N)=N Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Medical School Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory potencies using human Inducible nitric oxide synthase (hiNOS)				J Med Chem 39: 5110-8 (1997) Article DOI: 10.1021/jm960481q BindingDB Entry DOI: 10.7270/Q29W0DKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50055282 (2-Methyl-isothiourea | CHEMBL356703) Show SMILES CSC(N)=N Show InChI InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Medical School Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory potencies using human Inducible nitric oxide synthase (hiNOS)				J Med Chem 39: 5110-8 (1997) Article DOI: 10.1021/jm960481q BindingDB Entry DOI: 10.7270/Q29W0DKZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Medical School Curated by ChEMBL					Assay Description The compound was evaluated for the inhibitory potencies using human Inducible nitric oxide synthase (hiNOS)				J Med Chem 39: 5110-8 (1997) Article DOI: 10.1021/jm960481q BindingDB Entry DOI: 10.7270/Q29W0DKZ
					More data for this Ligand-Target Pair