BDBM50058447 2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide::CHEMBL503073::CHEMBL545439

SMILES: CCSC(N)=Nc1ccc(OC)cc1

InChI Key: InChIKey=NOKUUQSEHGNKQI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50058447   

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))	BDBM50058447 (2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...) Show SMILES CCSC(N)=Nc1ccc(OC)cc1 |w:5.5| Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline				Bioorg Med Chem 16: 6193-206 (2008) Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50058447 (2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...) Show SMILES CCSC(N)=Nc1ccc(OC)cc1 |w:5.5| Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	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))	BDBM50058447 (2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...) Show SMILES CCSC(N)=Nc1ccc(OC)cc1 |w:5.5| Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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))	BDBM50058447 (2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...) Show SMILES CCSC(N)=Nc1ccc(OC)cc1 |w:5.5| Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+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 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