BDBM50127044 CHEMBL42093::N-{(4S)-4-amino-5-[(2-aminobenzyl)amino]pentyl}-N'-nitroguanidine

SMILES: N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccc1N

InChI Key: InChIKey=QUKNJUOIFWDXRP-NSHDSACASA-N

Data: 3 KI

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 = 50127044   

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 (Rattus norvegicus (rat))	BDBM50127044 (CHEMBL42093 | N-{(4S)-4-amino-5-[(2-aminobenzyl)am...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccc1N Show InChI InChI=1S/C13H23N7O2/c14-11(5-3-7-18-13(16)19-20(21)22)9-17-8-10-4-1-2-6-12(10)15/h1-2,4,6,11,17H,3,5,7-9,14-15H2,(H3,16,18,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Neuronal Nitric Oxide Synthase (nNOS)				J Med Chem 46: 1661-9 (2003) Article DOI: 10.1021/jm0202932 BindingDB Entry DOI: 10.7270/Q23J3DQK
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50127044 (CHEMBL42093 | N-{(4S)-4-amino-5-[(2-aminobenzyl)am...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccc1N Show InChI InChI=1S/C13H23N7O2/c14-11(5-3-7-18-13(16)19-20(21)22)9-17-8-10-4-1-2-6-12(10)15/h1-2,4,6,11,17H,3,5,7-9,14-15H2,(H3,16,18,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against endothelial nitric oxide synthase (eNOS)				J Med Chem 46: 1661-9 (2003) Article DOI: 10.1021/jm0202932 BindingDB Entry DOI: 10.7270/Q23J3DQK
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50127044 (CHEMBL42093 | N-{(4S)-4-amino-5-[(2-aminobenzyl)am...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1ccccc1N Show InChI InChI=1S/C13H23N7O2/c14-11(5-3-7-18-13(16)19-20(21)22)9-17-8-10-4-1-2-6-12(10)15/h1-2,4,6,11,17H,3,5,7-9,14-15H2,(H3,16,18,19)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Inducible nitric oxide synthase (iNOS)				J Med Chem 46: 1661-9 (2003) Article DOI: 10.1021/jm0202932 BindingDB Entry DOI: 10.7270/Q23J3DQK
					More data for this Ligand-Target Pair