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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' 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, inducible


(Rattus norvegicus)
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Instituto Cajal (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat iNOS


Eur J Med Chem 54: 439-46 (2012)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136951
PNG
((4R,5R)-4-Methyl-5-pentyl-pyrrolidin-(2E)-ylidenea...)
Show SMILES CCCCC[C@H]1N=C(N)C[C@H]1C
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m1/s1
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250n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127041
PNG
(CHEMBL297372 | N-((4S)-4-amino-5-{[2-(2-aminoethyl...)
Show SMILES NCCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1
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3.15E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50079521
PNG
((2S)-2-amino-N-[(1S)-2-amino-1-(aminomethyl)-2-oxo...)
Show SMILES NC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C9H20N8O4/c10-4-6(7(12)18)15-8(19)5(11)2-1-3-14-9(13)16-17(20)21/h5-6H,1-4,10-11H2,(H2,12,18)(H,15,19)(H3,13,14,16)/t5-,6-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127039
PNG
(CHEMBL297207 | N-((4S)-4-amino-5-{[2-(aminomethyl)...)
Show SMILES NCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Show InChI InChI=1S/C13H23N7O2/c14-8-10-4-1-2-6-12(10)18-9-11(15)5-3-7-17-13(16)19-20(21)22/h1-2,4,6,11,18H,3,5,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1
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2.93E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136949
PNG
((4R)-4-[((2S)-2-amino-5-{[(Z)-imino(nitroamino)met...)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)NC1CNC(C1)C(N)=O
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?/m0/s1
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2.95E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136953
PNG
(CHEMBL152583 | N-{(4S)-4-amino-5-[(aminomethyl)ami...)
Show SMILES NCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Show InChI InChI=1S/C7H19N7O2/c8-5-11-4-6(9)2-1-3-12-7(10)13-14(15)16/h6,11H,1-5,8-9H2,(H3,10,12,13)/t6-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136954
PNG
((2S)-2-amino-N-[(1R)-1,2-diamino-2-oxoethyl]-5-{[(...)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@@H](N)C(N)=O
Show InChI InChI=1S/C8H18N8O4/c9-4(7(18)14-5(10)6(11)17)2-1-3-13-8(12)15-16(19)20/h4-5H,1-3,9-10H2,(H2,11,17)(H,14,18)(H3,12,13,15)/t4-,5+/m0/s1
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6.10E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM21960
PNG
(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Show SMILES NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O
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
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7.30E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127048
PNG
(CHEMBL433260 | N-((4S)-4-amino-5-{[3-(aminomethyl)...)
Show SMILES NCc1cccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)c1
Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-1-5-12(7-10)18-9-11(15)4-2-6-17-13(16)19-20(21)22/h1,3,5,7,11,18H,2,4,6,8-9,14-15H2,(H3,16,17,19)/t11-/m0/s1
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8.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM22030
PNG
((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
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
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9.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50369441
PNG
(CHEMBL1202106)
Show SMILES NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C11H24N8O4/c12-5-1-4-8(9(14)20)17-10(21)7(13)3-2-6-16-11(15)18-19(22)23/h7-8H,1-6,12-13H2,(H2,14,20)(H,17,21)(H3,15,16,18)/t7-,8-/m0/s1
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1.04E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50102683
PNG
(CHEMBL313228 | N-{(4S)-4-amino-5-[(3-aminopropyl)a...)
Show SMILES NCCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Show InChI InChI=1S/C9H23N7O2/c10-4-2-5-13-7-8(11)3-1-6-14-9(12)15-16(17)18/h8,13H,1-7,10-11H2,(H3,12,14,15)/t8-/m0/s1
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1.23E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136952
PNG
(CHEMBL154451 | N-[(4S)-4-amino-5-(pyridin-3-ylamin...)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNc1cccnc1
Show InChI InChI=1S/C11H19N7O2/c12-9(7-16-10-4-2-5-14-8-10)3-1-6-15-11(13)17-18(19)20/h2,4-5,8-9,16H,1,3,6-7,12H2,(H3,13,15,17)/t9-/m0/s1
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1.41E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127052
PNG
(CHEMBL45132 | N-((4S)-4-amino-5-{[3-(2-aminoethyl)...)
Show SMILES NCCc1cccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)c1
Show InChI InChI=1S/C14H25N7O2/c15-7-6-11-3-1-5-13(9-11)19-10-12(16)4-2-8-18-14(17)20-21(22)23/h1,3,5,9,12,19H,2,4,6-8,10,15-16H2,(H3,17,18,20)/t12-/m0/s1
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2.60E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136950
PNG
(CHEMBL446171 | N-{4-[4-((S)-6-Hydroxy-2,5,7,8-tetr...)
Show SMILES Cc1c(C)c2O[C@@](C)(CCc2c(C)c1O)C(=O)C1CCC(CC1)c1ccc(cc1)N=C(N)c1cccs1
Show InChI InChI=1S/C31H36N2O3S/c1-18-19(2)28-25(20(3)27(18)34)15-16-31(4,36-28)29(35)23-9-7-21(8-10-23)22-11-13-24(14-12-22)33-30(32)26-6-5-17-37-26/h5-6,11-14,17,21,23,34H,7-10,15-16H2,1-4H3,(H2,32,33)/t21?,23?,31-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127046
PNG
(CHEMBL46913 | N-((4S)-4-amino-5-{[4-(aminomethyl)p...)
Show SMILES NCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H23N7O2/c14-8-10-3-5-12(6-4-10)18-9-11(15)2-1-7-17-13(16)19-20(21)22/h3-6,11,18H,1-2,7-9,14-15H2,(H3,16,17,19)/t11-/m0/s1
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3.35E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127040
PNG
(CHEMBL45113 | N-((4S)-4-amino-5-{[4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-3-5-13(6-4-11)19-10-12(16)2-1-9-18-14(17)20-21(22)23/h3-6,12,19H,1-2,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1
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3.60E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127054
PNG
(CHEMBL43937 | N-{(4S)-4-amino-5-[(pyridin-3-ylmeth...)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)CNCc1cccnc1
Show InChI InChI=1S/C12H21N7O2/c13-11(4-2-6-17-12(14)18-19(20)21)9-16-8-10-3-1-5-15-7-10/h1,3,5,7,11,16H,2,4,6,8-9,13H2,(H3,14,17,18)/t11-/m0/s1
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3.95E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127057
PNG
((2R)-2,6-diamino-N-((1R)-1-(aminocarbonyl)-4-{[(Z)...)
Show SMILES NCCCC[C@@H](N)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C12H26N8O4/c13-6-2-1-4-8(14)11(22)18-9(10(15)21)5-3-7-17-12(16)19-20(23)24/h8-9H,1-7,13-14H2,(H2,15,21)(H,18,22)(H3,16,17,19)/t8-,9-/m1/s1
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9.10E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50059643
PNG
(CHEMBL297096 | D-Phe-D-ArgNo2-Ome | D-Phenylalanin...)
Show SMILES COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C16H24N6O5/c1-27-15(24)13(8-5-9-19-16(18)21-22(25)26)20-14(23)12(17)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,20,23)(H3,18,19,21)/t12-,13-/m1/s1
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3.60E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136955
PNG
((2S)-2,6-diamino-N-((1R)-1-(aminocarbonyl)-4-{[(Z)...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C12H26N8O4/c13-6-2-1-4-8(14)11(22)18-9(10(15)21)5-3-7-17-12(16)19-20(23)24/h8-9H,1-7,13-14H2,(H2,15,21)(H,18,22)(H3,16,17,19)/t8-,9+/m0/s1
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4.70E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50059653
PNG
(CHEMBL329459 | methyl 2-[1-amino-2-phenyl-(1S)-eth...)
Show SMILES COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C16H24N6O5/c1-27-15(24)13(8-5-9-19-16(18)21-22(25)26)20-14(23)12(17)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,20,23)(H3,18,19,21)/t12-,13+/m0/s1
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7.50E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50136956
PNG
(2-[1-amino-2-phenyl-(1R)-ethylcarboxamido]-5-imino...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C15H23N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1
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1.36E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50059645
PNG
((2R)-2-{[(2R)-2-amino-3-phenylpropanoyl]amino}-5-{...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C15H22N6O5/c16-11(9-10-5-2-1-3-6-10)13(22)19-12(14(23)24)7-4-8-18-15(17)20-21(25)26/h1-3,5-6,11-12H,4,7-9,16H2,(H,19,22)(H,23,24)(H3,17,18,20)/t11-,12-/m1/s1
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1.36E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of rat brain inducible nitric oxide synthase


J Med Chem 37: 3886-8 (1994)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50365330
PNG
(CHEMBL1956107)
Show SMILES CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1
Show InChI InChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)/t15-,17+
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n/an/a 2.34E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline in...


J Med Chem 55: 943-55 (2012)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438535
PNG
(CHEMBL2414836)
Show SMILES [O-][N+](=O)c1ccccc1C=CC1NC(=S)N2CCCCN12
Show InChI InChI=1S/C14H16N4O2S/c19-18(20)12-6-2-1-5-11(12)7-8-13-15-14(21)17-10-4-3-9-16(13)17/h1-2,5-8,13H,3-4,9-10H2,(H,15,21)
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n/an/a 9.81E+3n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438534
PNG
(CHEMBL2414846)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C12H14N4O2S/c17-16(18)10-5-3-9(4-6-10)11-13-12(19)15-8-2-1-7-14(11)15/h3-6,11H,1-2,7-8H2,(H,13,19)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438533
PNG
(CHEMBL2414845)
Show SMILES [O-][N+](=O)c1cccc(c1)C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C12H14N4O2S/c17-16(18)10-5-3-4-9(8-10)11-13-12(19)15-7-2-1-6-14(11)15/h3-5,8,11H,1-2,6-7H2,(H,13,19)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50030279
PNG
(2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | C...)
Show SMILES CNC(=N)NCCCC(N)C(O)=O
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)
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n/an/a 1.80E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of rat brain inducible nitric oxide synthase


J Med Chem 37: 3886-8 (1994)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206065
PNG
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)
Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1
Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of rat brain inducible nitric oxide synthase


J Med Chem 37: 3886-8 (1994)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438532
PNG
(CHEMBL2414844)
Show SMILES [O-][N+](=O)c1ccccc1C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C12H14N4O2S/c17-16(18)10-6-2-1-5-9(10)11-13-12(19)15-8-4-3-7-14(11)15/h1-2,5-6,11H,3-4,7-8H2,(H,13,19)
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n/an/a 2.42E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206073
PNG
(CHEMBL233652 | N-[2-(2-pyridin-2-yl-ethylamino)-be...)
Show SMILES NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1
Show InChI InChI=1S/C19H17N5S2/c20-18(16-5-3-11-25-16)23-14-6-7-15-17(12-14)26-19(24-15)22-10-8-13-4-1-2-9-21-13/h1-7,9,11-12H,8,10H2,(H2,20,23)(H,22,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
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n/an/a 2.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438531
PNG
(CHEMBL2414855)
Show SMILES S=C1NC(\C=C\c2ccccc2)N2CCCCN12
Show InChI InChI=1S/C14H17N3S/c18-14-15-13(16-10-4-5-11-17(14)16)9-8-12-6-2-1-3-7-12/h1-3,6-9,13H,4-5,10-11H2,(H,15,18)/b9-8+
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n/an/a 2.99E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 3.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438530
PNG
(CHEMBL2414851)
Show SMILES S=C1NC(N2CCCCN12)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H19N3OS/c23-18-19-17(20-11-4-5-12-21(18)20)14-7-6-10-16(13-14)22-15-8-2-1-3-9-15/h1-3,6-10,13,17H,4-5,11-12H2,(H,19,23)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50206070
PNG
(CHEMBL412797 | N-[2-(2-morpholin-4-yl-ethylamino)-...)
Show SMILES NC(=Nc1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1
Show InChI InChI=1S/C18H21N5OS2/c19-17(15-2-1-11-25-15)21-13-3-4-14-16(12-13)26-18(22-14)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22)
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n/an/a 4.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438529
PNG
(CHEMBL2414840)
Show SMILES Cc1ccc(cc1)C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C13H17N3S/c1-10-4-6-11(7-5-10)12-14-13(17)16-9-3-2-8-15(12)16/h4-7,12H,2-3,8-9H2,1H3,(H,14,17)
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n/an/a 5.32E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438528
PNG
(CHEMBL2414843)
Show SMILES Clc1ccc(cc1)C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C12H14ClN3S/c13-10-5-3-9(4-6-10)11-14-12(17)16-8-2-1-7-15(11)16/h3-6,11H,1-2,7-8H2,(H,14,17)
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n/an/a 5.76E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438527
PNG
(CHEMBL2414838)
Show SMILES Cc1ccccc1C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C13H17N3S/c1-10-6-2-3-7-11(10)12-14-13(17)16-9-5-4-8-15(12)16/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,14,17)
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n/an/a 6.03E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438526
PNG
(CHEMBL2414841)
Show SMILES Clc1ccccc1C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C12H14ClN3S/c13-10-6-2-1-5-9(10)11-14-12(17)16-8-4-3-7-15(11)16/h1-2,5-6,11H,3-4,7-8H2,(H,14,17)
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n/an/a 6.30E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438525
PNG
(CHEMBL2414847)
Show SMILES Oc1ccccc1C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C12H15N3OS/c16-10-6-2-1-5-9(10)11-13-12(17)15-8-4-3-7-14(11)15/h1-2,5-6,11,16H,3-4,7-8H2,(H,13,17)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 9.20E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of rat brain inducible nitric oxide synthase


J Med Chem 37: 3886-8 (1994)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50379737
PNG
(CHEMBL2011128)
Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat iNOS


Bioorg Med Chem Lett 22: 2510-3 (2012)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50438524
PNG
(CHEMBL2414852)
Show SMILES CN(C)c1ccc(cc1)C1NC(=S)N2CCCCN12
Show InChI InChI=1S/C14H20N4S/c1-16(2)12-7-5-11(6-8-12)13-15-14(19)18-10-4-3-9-17(13)18/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,19)
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n/an/a 1.01E+5n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AG | AMINOG...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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n/an/a 1.32E+5n/an/an/an/an/an/a



Ernst Moritz Arndt University Greifswald

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction


Bioorg Med Chem 21: 5518-31 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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n/an/a 8.08E+5n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of rat brain inducible nitric oxide synthase


J Med Chem 37: 3886-8 (1994)

More data for this
Ligand-Target Pair
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