BindingDB PrimarySearch

Found 9 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase mutant (nNOS M336V/D597N)'
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
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM190667 (US10759791, Compound 14j \| nNOS inhibitor, 5) Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	65.3	-42.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California , Irvine					Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...				Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX
University of California , Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM190668 (US10759791, Compound 14k \| nNOS inhibitor, 6) Show SMILES CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	108	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California , Irvine					Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...				Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX
University of California , Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM152712 (4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...) Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	117	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California , Irvine					Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...				Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX
University of California , Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM190666 (US10759791, Compound 14h \| nNOS inhibitor, 4) Show SMILES CN1CCC(CC1)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	458	-37.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California , Irvine					Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...				Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX
University of California , Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM190665 (US10759791, Compound 14g \| nNOS inhibitor, 3) Show SMILES CN1CCN(CC1)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	736	-36.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California , Irvine					Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...				Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX
University of California , Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM130385 (6(3amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyrid...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	265	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM130383 (4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	393	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM130382 (4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.93E+3	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (Rattus norvegicus (rats))	BDBM130384 (6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	153	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair