BDBM50058439 2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydrochloride::CHEMBL501297::CHEMBL543566

SMILES: CCSC(N)=Nc1ccccc1C(C)C

InChI Key: InChIKey=CYTGYYHWIKQBLO-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 = 50058439   

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))	BDBM50058439 (2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydroc...) Show SMILES CCSC(N)=Nc1ccccc1C(C)C |w:5.5| Show InChI InChI=1S/C12H18N2S/c1-4-15-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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))	BDBM50058439 (2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydroc...) Show SMILES CCSC(N)=Nc1ccccc1C(C)C |w:5.5| Show InChI InChI=1S/C12H18N2S/c1-4-15-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 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))	BDBM50058439 (2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydroc...) Show SMILES CCSC(N)=Nc1ccccc1C(C)C |w:5.5| Show InChI InChI=1S/C12H18N2S/c1-4-15-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+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))	BDBM50058439 (2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydroc...) Show SMILES CCSC(N)=Nc1ccccc1C(C)C |w:5.5| Show InChI InChI=1S/C12H18N2S/c1-4-15-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(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	1.00E+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