BDBM50127043 CHEMBL296102::N-((4S)-4-amino-5-{[2-(3-aminophenyl)ethyl]amino}pentyl)-N'-nitroguanidine

SMILES: N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccc(N)c1

InChI Key: InChIKey=JUCBPCYBZJHEEP-ZDUSSCGKSA-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 = 50127043   

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))	BDBM50127043 (CHEMBL296102 | N-((4S)-4-amino-5-{[2-(3-aminopheny...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccc(N)c1 Show InChI InChI=1S/C14H25N7O2/c15-12-4-1-3-11(9-12)6-8-18-10-13(16)5-2-7-19-14(17)20-21(22)23/h1,3-4,9,13,18H,2,5-8,10,15-16H2,(H3,17,19,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	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))	BDBM50127043 (CHEMBL296102 | N-((4S)-4-amino-5-{[2-(3-aminopheny...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccc(N)c1 Show InChI InChI=1S/C14H25N7O2/c15-12-4-1-3-11(9-12)6-8-18-10-13(16)5-2-7-19-14(17)20-21(22)23/h1,3-4,9,13,18H,2,5-8,10,15-16H2,(H3,17,19,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.76E+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))	BDBM50127043 (CHEMBL296102 | N-((4S)-4-amino-5-{[2-(3-aminopheny...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccc(N)c1 Show InChI InChI=1S/C14H25N7O2/c15-12-4-1-3-11(9-12)6-8-18-10-13(16)5-2-7-19-14(17)20-21(22)23/h1,3-4,9,13,18H,2,5-8,10,15-16H2,(H3,17,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+5	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