BDBM50104656 3-Butyl-[1,4]oxazepan-(5Z)-ylideneamine::CHEMBL89282

SMILES: CCCCC1COCCC(N)=N1

InChI Key: InChIKey=YXURWRQCUHZROM-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 = 50104656   

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, endothelial (Homo sapiens (Human))	BDBM50104656 (3-Butyl-[1,4]oxazepan-(5Z)-ylideneamine | CHEMBL89...) Show SMILES CCCCC1COCCC(N)=N1 |c:10| Show InChI InChI=1S/C9H18N2O/c1-2-3-4-8-7-12-6-5-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.36E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of endothelial nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50104656 (3-Butyl-[1,4]oxazepan-(5Z)-ylideneamine | CHEMBL89...) Show SMILES CCCCC1COCCC(N)=N1 |c:10| Show InChI InChI=1S/C9H18N2O/c1-2-3-4-8-7-12-6-5-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of inducible nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50104656 (3-Butyl-[1,4]oxazepan-(5Z)-ylideneamine | CHEMBL89...) Show SMILES CCCCC1COCCC(N)=N1 |c:10| Show InChI InChI=1S/C9H18N2O/c1-2-3-4-8-7-12-6-5-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 2651-3 (2001) BindingDB Entry DOI: 10.7270/Q24T6HPK
					More data for this Ligand-Target Pair