BDBM50127054 CHEMBL43937::N-{(4S)-4-amino-5-[(pyridin-3-ylmethyl)amino]pentyl}-N'-nitroguanidine

SMILES: N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1

InChI Key: InChIKey=YFRGVCGJTQQYQT-NSHDSACASA-N

Data: 6 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 6 hits for monomerid = 50127054   

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))	BDBM50127054 (CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1 Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	550	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, brain (Homo sapiens (Human)-Rattus norvegicus (rat))	BDBM50127054 (CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1 Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	760	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				J Med Chem 46: 5700-11 (2003) Checked by Author Article DOI: 10.1021/jm030301u BindingDB Entry DOI: 10.7270/Q26D5TQV
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50127054 (CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1 Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.41E+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 (Homo sapiens (Human)-Bos taurus (bovine))	BDBM50127054 (CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1 Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.93E+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: 5700-11 (2003) Checked by Author Article DOI: 10.1021/jm030301u BindingDB Entry DOI: 10.7270/Q26D5TQV
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse)-Homo sapiens (Human))	BDBM50127054 (CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1 Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.95E+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				J Med Chem 46: 5700-11 (2003) Checked by Author Article DOI: 10.1021/jm030301u BindingDB Entry DOI: 10.7270/Q26D5TQV
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50127054 (CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1 Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.23E+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