BDBM50255305 (S)-1-(4-amino-5-(2-(2-aminoethyl)phenylamino)pentyl)-3-nitroguanidine tris(2,2,2-trifluoroacetate)::CHEMBL519772

SMILES: NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O

InChI Key: InChIKey=GVFOIXTVPJBFRA-LBPRGKRZSA-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 = 50255305   

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))	BDBM50255305 ((S)-1-(4-amino-5-(2-(2-aminoethyl)phenylamino)pent...) Show SMILES NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50255305 ((S)-1-(4-amino-5-(2-(2-aminoethyl)phenylamino)pent...) Show SMILES NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50255305 ((S)-1-(4-amino-5-(2-(2-aminoethyl)phenylamino)pent...) Show SMILES NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair