BDBM50058452 1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodide::CHEMBL538001::N-(4-Chlorophenyl)-S-methylisothiourea hydroiodide

SMILES: CSC(N)=Nc1ccc(Cl)cc1

InChI Key: InChIKey=RVVNEQQMDNKLRB-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50058452   

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))	BDBM50058452 (1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...) Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4| Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	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))	BDBM50058452 (1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...) Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4| Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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 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))	BDBM50058452 (1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...) Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4| Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+7	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
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50058452 (1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...) Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4| Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition of IFN-gamma-stimulated kynurenine production				Bioorg Med Chem Lett 20: 5126-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.025 BindingDB Entry DOI: 10.7270/Q2862HFZ
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50058452 (1-(4-Chloro-phenyl)-2-methyl-isothiourea; hydriodi...) Show SMILES CSC(N)=Nc1ccc(Cl)cc1 |w:4.4| Show InChI InChI=1S/C8H9ClN2S/c1-12-8(10)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of indoleamine-2,3-dioxygenase				Bioorg Med Chem Lett 20: 5126-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.025 BindingDB Entry DOI: 10.7270/Q2862HFZ
					More data for this Ligand-Target Pair