BDBM50120682 3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium; chloride::CHEMBL114534

SMILES: CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C

InChI Key: InChIKey=DBFJQSOVVMBTEE-YIZRAAEISA-O

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 = 50120682   

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))	BDBM50120682 (3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium;...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/p+1/t7-,8+,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.98E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory activity against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120682 (3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium;...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/p+1/t7-,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120682 (3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium;...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/p+1/t7-,8+,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair