BDBM50127046 CHEMBL46913::N-((4S)-4-amino-5-{[4-(aminomethyl)phenyl]amino}pentyl)-N'-nitroguanidine

SMILES: NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1

InChI Key: InChIKey=MCWPVZBUYYXHAR-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 = 50127046   

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))	BDBM50127046 (CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...) Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+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, brain (Homo sapiens (Human)-Rattus norvegicus (rat))	BDBM50127046 (CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...) Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+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				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))	BDBM50127046 (CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...) Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35E+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, inducible (Mus musculus (mouse))	BDBM50127046 (CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...) Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35E+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))	BDBM50127046 (CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...) Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.09E+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
Nitric Oxide Synthase, endothelial (Homo sapiens (Human)-Bos taurus (bovine))	BDBM50127046 (CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...) Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.09E+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