BDBM50155786 3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine::CHEMBL185833

SMILES: CCC1CSCCC(N)=N1

InChI Key: InChIKey=BJFMNSRYUNDINA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50155786   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50155786 (3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL1...) Show SMILES CCC1CSCCC(N)=N1 Show InChI InChI=1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Inducible nitric oxide synthase				Bioorg Med Chem Lett 14: 5907-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.019 BindingDB Entry DOI: 10.7270/Q2JQ10HX
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50155786 (3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL1...) Show SMILES CCC1CSCCC(N)=N1 Show InChI InChI=1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)	PDB UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 14: 5907-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.019 BindingDB Entry DOI: 10.7270/Q2JQ10HX
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50155786 (3-Ethyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL1...) Show SMILES CCC1CSCCC(N)=N1 Show InChI InChI=1S/C7H14N2S/c1-2-6-5-10-4-3-7(8)9-6/h6H,2-5H2,1H3,(H2,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 14: 5907-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.019 BindingDB Entry DOI: 10.7270/Q2JQ10HX
					More data for this Ligand-Target Pair