BDBM50086462 (S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-propionic acid::CHEMBL435854

SMILES: CC(=N)NCCSC[C@@H](N)C(O)=O

InChI Key: InChIKey=KQPLTXABUXNVDD-ZCFIWIBFSA-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 = 50086462   

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))	BDBM50086462 ((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...) Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1	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	1.32E+4	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, inducible (Homo sapiens (Human))	BDBM50086462 ((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...) Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1	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	700	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, endothelial (Homo sapiens (Human))	BDBM50086462 ((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...) Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Concentration required for inhibition of endothelial Nitric Oxide Synthase in human				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
					More data for this Ligand-Target Pair