BDBM50127055 CHEMBL45441::N-{(4S)-4-amino-5-[(2-pyridin-3-ylethyl)amino]pentyl}-N'-nitroguanidine

SMILES: N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccnc1

InChI Key: InChIKey=HPQDVOLEJAWTBM-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 = 50127055   

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))	BDBM50127055 (CHEMBL45441 | N-{(4S)-4-amino-5-[(2-pyridin-3-ylet...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccnc1 Show InChI InChI=1S/C13H23N7O2/c14-12(4-2-7-18-13(15)19-20(21)22)10-17-8-5-11-3-1-6-16-9-11/h1,3,6,9,12,17H,2,4-5,7-8,10,14H2,(H3,15,18,19)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.06E+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, inducible (Mus musculus (mouse))	BDBM50127055 (CHEMBL45441 | N-{(4S)-4-amino-5-[(2-pyridin-3-ylet...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccnc1 Show InChI InChI=1S/C13H23N7O2/c14-12(4-2-7-18-13(15)19-20(21)22)10-17-8-5-11-3-1-6-16-9-11/h1,3,6,9,12,17H,2,4-5,7-8,10,14H2,(H3,15,18,19)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.78E+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
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50127055 (CHEMBL45441 | N-{(4S)-4-amino-5-[(2-pyridin-3-ylet...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCCc1cccnc1 Show InChI InChI=1S/C13H23N7O2/c14-12(4-2-7-18-13(15)19-20(21)22)10-17-8-5-11-3-1-6-16-9-11/h1,3,6,9,12,17H,2,4-5,7-8,10,14H2,(H3,15,18,19)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.75E+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 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