Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, endothelial [N368D]' AND taxid = 9913   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nitric oxide synthase, endothelial [N368D] (Bos taurus (bovine))	BDBM21960 (3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...) Show SMILES NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:10.9| Show InChI InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.60E+3	-31.0	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					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...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial [N368D] (Bos taurus (bovine))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4| Show InChI InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.10E+3	-30.7	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					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...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial [N368D] (Bos taurus (bovine))	BDBM22030 ((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...) Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:12.11| Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.50E+3	-29.1	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					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...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
					More data for this Ligand-Target Pair				3D Structure (crystal)