BDBM50058454 2-Ethyl-1-(4-nitro-phenyl)-isothiourea; hydriodide::CHEMBL543092

SMILES: CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=SJRZGGDHQMMALI-UHFFFAOYSA-O

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50058454   

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
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50058454 (2-Ethyl-1-(4-nitro-phenyl)-isothiourea; hydriodide...) Show SMILES CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C9H10N3O2S/c1-2-15-9(10)11-7-3-5-8(6-4-7)12(13)14/h3-6H,2H2,1H3,(H-,10,11)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).				J Med Chem 40: 1901-5 (1997) Article DOI: 10.1021/jm960785c BindingDB Entry DOI: 10.7270/Q2SJ1M94
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50058454 (2-Ethyl-1-(4-nitro-phenyl)-isothiourea; hydriodide...) Show SMILES CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C9H10N3O2S/c1-2-15-9(10)11-7-3-5-8(6-4-7)12(13)14/h3-6H,2H2,1H3,(H-,10,11)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human vascular endothelial nitric oxide synthase.				J Med Chem 40: 1901-5 (1997) Article DOI: 10.1021/jm960785c BindingDB Entry DOI: 10.7270/Q2SJ1M94
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50058454 (2-Ethyl-1-(4-nitro-phenyl)-isothiourea; hydriodide...) Show SMILES CCS\C([NH-])=[NH+]\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C9H10N3O2S/c1-2-15-9(10)11-7-3-5-8(6-4-7)12(13)14/h3-6H,2H2,1H3,(H-,10,11)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human inducible nitric oxide synthase (iNOS).				J Med Chem 40: 1901-5 (1997) Article DOI: 10.1021/jm960785c BindingDB Entry DOI: 10.7270/Q2SJ1M94
					More data for this Ligand-Target Pair