BDBM50086469 4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-butyric acid::CHEMBL155318

SMILES: CC(=N)NCCS(=O)CCC(N)C(O)=O

InChI Key: InChIKey=NNZROOPGKWVHJB-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 = 50086469   

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, inducible (Homo sapiens (Human))	BDBM50086469 (4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...) Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human inducible nitric oxide synthase				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50086469 (4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...) Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human neuronal Nitric Oxide Synthase				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50086469 (4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...) Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
					More data for this Ligand-Target Pair