Affinity Data by PDB ID

PDB code 8NSE

Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nitric oxide synthase, endothelial (414/444 = 93%)^† (Homo sapiens (Human))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human endothelial nitric oxide synthase (eNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
Glaxo Wellcome Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (443/444 > 99%)^† (Bos taurus (bovine))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	720	-35.6	n/a	n/a	n/a	n/a	n/a	7.5	30
Northwestern University					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 50: 2089-99 (2007) Article DOI: 10.1021/jm061305c BindingDB Entry DOI: 10.7270/Q2W0947W
Northwestern University					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (443/444 > 99%)^† (Bos taurus (bovine))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS				J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (414/444 = 93%)^† (Homo sapiens (Human))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro inhibition of endothelial nitric oxide synthase.				Bioorg Med Chem Lett 12: 2561-4 (2002) BindingDB Entry DOI: 10.7270/Q2VD6XS8
Schering AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (414/444 = 93%)^† (Homo sapiens (Human))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human Endothelial nitric oxide synthase				Bioorg Med Chem Lett 13: 1981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FN16QG
Schering AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (414/444 = 93%)^† (Homo sapiens (Human))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)				J Med Chem 41: 3675-83 (1998) Article DOI: 10.1021/jm970840x BindingDB Entry DOI: 10.7270/Q2XP75MP
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (443/444 > 99%)^† (Bos taurus (bovine))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase ...				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output