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Found 9 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase mutant (nNOS M336V/D597N)' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM190667
PNG
(nNOS inhibitor, 5)
Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
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65.3n/an/an/an/an/an/an/an/a



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 ...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM190668
PNG
(nNOS inhibitor, 6)
Show SMILES CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21)
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108n/an/an/an/an/an/an/an/a



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 ...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM152712
PNG
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
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117n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM190666
PNG
(nNOS inhibitor, 4)
Show SMILES CN1CCC(CC1)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H26N4/c1-14-9-18(22-19(20)10-14)4-3-15-11-17(13-21-12-15)16-5-7-23(2)8-6-16/h9-13,16H,3-8H2,1-2H3,(H2,20,22)
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458n/an/an/an/an/an/an/an/a



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 ...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM190665
PNG
(nNOS inhibitor, 3)
Show SMILES CN1CCN(CC1)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21)
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736n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM130385
PNG
(6(3amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyrid...)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)
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n/an/an/a 265n/an/an/an/an/a



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...


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More data for this
Ligand-Target Pair
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM130382
PNG
(4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1
Show InChI InChI=1S/C21H30N4O/c1-16-11-19(25-21(22)12-16)13-17-14-23-15-20(17)26-10-6-2-3-7-18-8-4-5-9-24-18/h4-5,8-9,11-12,17,20,23H,2-3,6-7,10,13-15H2,1H3,(H2,22,25)/t17-,20+/m1/s1
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n/an/an/a 1.93E+3n/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM130383
PNG
(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Show SMILES Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1
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n/an/an/a 393n/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N)


(Rattus norvegicus (rats))
BDBM130384
PNG
(6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl...)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-16(23-17(20)4-12)11-25-10-15-7-14(8-22-15)9-26-19-6-13(2)5-18(21)24-19/h3-6,14-15,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,15+/m0/s1
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n/an/an/a 153n/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair