BDBM50127049 CHEMBL297095::N-{(4S)-4-amino-5-[(3-aminophenyl)amino]pentyl}-N'-nitroguanidine

SMILES: N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccc(N)c1

InChI Key: InChIKey=COKZTIVDBVHOCZ-JTQLQIEISA-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 = 50127049   

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))	BDBM50127049 (CHEMBL297095 | N-{(4S)-4-amino-5-[(3-aminophenyl)a...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccc(N)c1 Show InChI InChI=1S/C12H21N7O2/c13-9-3-1-5-11(7-9)17-8-10(14)4-2-6-16-12(15)18-19(20)21/h1,3,5,7,10,17H,2,4,6,8,13-14H2,(H3,15,16,18)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+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))	BDBM50127049 (CHEMBL297095 | N-{(4S)-4-amino-5-[(3-aminophenyl)a...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccc(N)c1 Show InChI InChI=1S/C12H21N7O2/c13-9-3-1-5-11(7-9)17-8-10(14)4-2-6-16-12(15)18-19(20)21/h1,3,5,7,10,17H,2,4,6,8,13-14H2,(H3,15,16,18)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.86E+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))	BDBM50127049 (CHEMBL297095 | N-{(4S)-4-amino-5-[(3-aminophenyl)a...) Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccc(N)c1 Show InChI InChI=1S/C12H21N7O2/c13-9-3-1-5-11(7-9)17-8-10(14)4-2-6-16-12(15)18-19(20)21/h1,3,5,7,10,17H,2,4,6,8,13-14H2,(H3,15,16,18)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+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