Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50058449   

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, brain (Homo sapiens (Human))	BDBM50058449 (4-(2-Ethyl-isothioureido)-benzoic acid ethyl ester...) Show SMILES CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11| Show InChI InChI=1S/C12H16N2O2S/c1-3-16-11(15)9-5-7-10(8-6-9)14-12(13)17-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	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))	BDBM50058449 (4-(2-Ethyl-isothioureido)-benzoic acid ethyl ester...) Show SMILES CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11| Show InChI InChI=1S/C12H16N2O2S/c1-3-16-11(15)9-5-7-10(8-6-9)14-12(13)17-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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 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))	BDBM50058449 (4-(2-Ethyl-isothioureido)-benzoic acid ethyl ester...) Show SMILES CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11| Show InChI InChI=1S/C12H16N2O2S/c1-3-16-11(15)9-5-7-10(8-6-9)14-12(13)17-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 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))	BDBM50058449 (4-(2-Ethyl-isothioureido)-benzoic acid ethyl ester...) Show SMILES CCOC(=O)c1ccc(cc1)N=C(N)SCC |w:11.11| Show InChI InChI=1S/C12H16N2O2S/c1-3-16-11(15)9-5-7-10(8-6-9)14-12(13)17-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+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