Found 165 hits with Last Name = 'st-gallay' and Initial = 'sa' 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 |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21995
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H24F3N3O5S/c1-12(2)9-28-21-18(19(31)27(3)22(28)33)17(20(32)29-10-14(30)11-34-29)16(35-21)8-13-6-4-5-7-15(13)23(24,25)26/h4-7,12,14,30H,8-11H2,1-3H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0900 | -56.8 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21992
(5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...)Show SMILES CC(C)Cn1c2sc(Oc3cccc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H27N3O5S/c1-15(2)13-29-24-20(22(31)27(3)26(29)33)21(23(32)28-12-11-17(30)14-28)25(35-24)34-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,15,17,30H,11-14H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.310 | -53.7 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21996
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H25N5O5S/c1-12(2)9-27-22-18(20(30)26(3)23(27)32)17(21(31)28-10-14(29)11-33-28)16(34-22)7-13-8-25-19-15(13)5-4-6-24-19/h4-6,8,12,14,29H,7,9-11H2,1-3H3,(H,24,25)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.430 | -52.9 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21994
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H26N4O5S/c1-14(2)11-28-24-21(22(31)27(3)25(28)33)20(23(32)29-12-16(30)13-34-29)19(35-24)10-15-8-9-26-18-7-5-4-6-17(15)18/h4-9,14,16,30H,10-13H2,1-3H3/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.520 | -52.5 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21987
(6-[(6-fluoroquinolin-4-yl)methyl]-5-{[(3R)-3-hydro...)Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H27FN4O4S/c1-14(2)12-31-25-22(23(33)29(3)26(31)35)21(24(34)30-9-7-17(32)13-30)20(36-25)10-15-6-8-28-19-5-4-16(27)11-18(15)19/h4-6,8,11,14,17,32H,7,9-10,12-13H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.810 | -51.4 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21998
(6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...)Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | -50.4 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21997
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r| Show InChI InChI=1S/C24H28N6O5S/c1-13(2)9-29-22-19(20(32)27(4)24(29)34)18(21(33)30-10-14(31)12-35-30)17(36-22)11-28-16-8-6-5-7-15(16)26-23(28)25-3/h5-8,13-14,31H,9-12H2,1-4H3,(H,25,26)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.70 | -49.6 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21993
(6-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]...)Show SMILES CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)7-26-18-13(16(27)23(4)19(26)29)12(17(28)24(5)30-6)11(31-18)8-25-10(3)22-14(20)15(25)21/h9H,7-8H2,1-6H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | -48.0 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21985
(5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...)Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | -47.0 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21991
(5-{[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]carbonyl}...)Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C26H28N4O5S/c1-14(2)11-30-25-22(23(33)28(3)26(30)35)21(24(34)29-12-18(31)19(32)13-29)20(36-25)10-15-8-9-27-17-7-5-4-6-16(15)17/h4-9,14,18-19,31-32H,10-13H2,1-3H3/t18-,19+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | -42.6 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21990
(5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylam...)Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CCC1 Show InChI InChI=1S/C24H28N6O3S/c1-14(2)12-30-22-19(20(31)27(4)24(30)33)18(21(32)28-10-7-11-28)17(34-22)13-29-16-9-6-5-8-15(16)26-23(29)25-3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | -40.8 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21988
(N,N,3-trimethyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(t...)Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N(C)C)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H22F3N3O3S/c1-11(2)27-19-16(18(29)26(5)20(27)30)15(17(28)25(3)4)14(31-19)10-12-8-6-7-9-13(12)21(22,23)24/h6-9,11H,10H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 117 | -39.2 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Monocarboxylate transporter 1
(Homo sapiens (Human)) | BDBM21989
(3-{[3-methyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(trif...)Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C22H22F3N3O5S2/c1-12(2)28-20-17(18(29)26(3)21(28)31)16(19(30)27-8-9-35(32,33)11-27)15(34-20)10-13-6-4-5-7-14(13)22(23,24)25/h4-7,12H,8-11H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >190 | >-38.0 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca
| Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... |
J Med Chem 50: 254-63 (2007)
Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50339998
((R)-2-(3-amino-1-phenylpropylthio)-4-chlorobenzoni...)Show InChI InChI=1S/C16H15ClN2S/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50339997
((R)-2-(3-amino-1-phenylpropoxy)-4-chlorobenzonitri...)Show InChI InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50340003
((R)-2-(3-amino-1-phenylpropylthio)-6-methylnicotin...)Show InChI InChI=1S/C16H17N3S/c1-12-7-8-14(11-18)16(19-12)20-15(9-10-17)13-5-3-2-4-6-13/h2-8,15H,9-10,17H2,1H3/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50340004
((R)-2-(3-amino-1-(isoxazol-5-yl)propoxy)-6-(triflu...)Show SMILES NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c1ccno1 |r| Show InChI InChI=1S/C13H11F3N4O2/c14-13(15,16)11-2-1-8(7-18)12(20-11)21-9(3-5-17)10-4-6-19-22-10/h1-2,4,6,9H,3,5,17H2/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50340002
(2-[[(1R)-3-Amino-1-phenylpropyl]oxy]-4-chloro-5-fl...)Show InChI InChI=1S/C16H14ClFN2O/c17-13-9-16(12(10-20)8-14(13)18)21-15(6-7-19)11-4-2-1-3-5-11/h1-5,8-9,15H,6-7,19H2/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50339996
((R)-4-chloro-2-(3-(methylamino)-1-phenylpropoxy)be...)Show InChI InChI=1S/C17H17ClN2O/c1-20-10-9-16(13-5-3-2-4-6-13)21-17-11-15(18)8-7-14(17)12-19/h2-8,11,16,20H,9-10H2,1H3/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50091817
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human neuronal nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM36395
(5-Fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-a...)Show InChI InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50091817
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50091817
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50339995
((R)-3-(2,5-dichlorophenoxy)-N-methyl-3-phenylpropa...)Show InChI InChI=1S/C16H17Cl2NO/c1-19-10-9-15(12-5-3-2-4-6-12)20-16-11-13(17)7-8-14(16)18/h2-8,11,15,19H,9-10H2,1H3/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50091817
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50148168
((E)-8-Propyl-3,4,5,6,7,8-hexahydro-azocin-2-ylamin...)Show InChI InChI=1S/C10H20N2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM36396
(CD24894148 | N-[2-(4-Amino-5,8-difluoro-1,2-dihydr...)Show SMILES NC1=NC(CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50091817
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124535
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124535
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM36401
((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM36402
((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124535
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50091805
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50091817
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human endothelial nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM36402
((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50340001
(CHEMBL1762478 | rac-4-chloro-2-(1-(methylamino)pen...)Show InChI InChI=1S/C13H17ClN2O/c1-3-12(6-7-16-2)17-13-8-11(14)5-4-10(13)9-15/h4-5,8,12,16H,3,6-7H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50148169
((4-Chloro-phenyl)-[4-(4-methoxy-pyridin-2-ylamino)...)Show InChI InChI=1S/C18H20ClN3O2/c1-24-16-6-9-20-17(12-16)21-15-7-10-22(11-8-15)18(23)13-2-4-14(19)5-3-13/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50086467
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50339999
((R)-2-(3-(methylamino)-1-phenylpropoxy)-4-(trifluo...)Show SMILES CNCC[C@@H](Oc1cc(ccc1C#N)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C18H17F3N2O/c1-23-10-9-16(13-5-3-2-4-6-13)24-17-11-15(18(19,20)21)8-7-14(17)12-22/h2-8,11,16,23H,9-10H2,1H3/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50148167
(4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...)Show InChI InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50148167
(4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...)Show InChI InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM36401
((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM36401
((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50148164
(4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbo...)Show InChI InChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human Inducible nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50148164
(4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbo...)Show InChI InChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | 7.0 | 37 |
The Scripps Research Institute
| 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 Chem Biol 4: 700-7 (2008)
Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50091805
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human neuronal nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50124535
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50091800
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description In vitro inhibition of human neuronal nitric oxide synthase. |
J Med Chem 47: 3320-3 (2004)
Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50340000
((R)-4-methoxy-2-(3-(methylamino)-1-phenylpropoxy)b...)Show InChI InChI=1S/C18H20N2O2/c1-20-11-10-17(14-6-4-3-5-7-14)22-18-12-16(21-2)9-8-15(18)13-19/h3-9,12,17,20H,10-11H2,1-2H3/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description Inhibition of human recombinant iNOS |
Bioorg Med Chem Lett 21: 2468-71 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S |
More data for this Ligand-Target Pair | |