Found 197 hits with Last Name = 'beaton' and Initial = 'hg' 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, inducible
(Homo sapiens (Human)) | BDBM50124519
(5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...)Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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)) | 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)) | 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, 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, 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 | |
Platelet-activating factor acetylhydrolase [136-227]
(Sus scrofa) | BDBM50040461
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
More data for this Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase [136-227]
(Sus scrofa) | BDBM50040458
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1 Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124537
(2-Cyclobutyl-5-fluoro-1,2-dihydro-quinazolin-4-yla...)Show InChI InChI=1S/C12H14FN3/c13-8-5-2-6-9-10(8)11(14)16-12(15-9)7-3-1-4-7/h2,5-7,12,15H,1,3-4H2,(H2,14,16) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50040461
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
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 | |
Platelet-activating factor acetylhydrolase [136-227]
(Sus scrofa) | BDBM50040464
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-(naphthalen-2-y...)Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc2ccccc2c1)CC(O)=O Show InChI InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
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)) | BDBM50124531
(4-[4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2cccc(F)c12 |t:1| Show InChI InChI=1S/C20H18FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-11H2,(H2,23,25) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase [136-227]
(Sus scrofa) | BDBM50040461
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description Compound was tested for in vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC) |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
More data for this Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase [136-227]
(Sus scrofa) | BDBM50040455
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124521
(CHEMBL174290 | ethyl 4'-amino-5'-fluorospiro[hexah...)Show SMILES CCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:22| Show InChI InChI=1S/C15H19FN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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 | 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)) | 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
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| 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 Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124533
(2-methylsulfanylethyl 4'-amino-5'-fluorospiro[hexa...)Show SMILES CSCCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:24| Show InChI InChI=1S/C16H21FN4O2S/c1-24-10-9-23-15(22)21-7-5-16(6-8-21)19-12-4-2-3-11(17)13(12)14(18)20-16/h2-4,19H,5-10H2,1H3,(H2,18,20) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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
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| 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
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CHEMBL MCE PC cid PC sid PDB UniChem
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| 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, inducible
(Homo sapiens (Human)) | BDBM50124532
(CHEMBL366978 | ethyl 4'-amino-5'-chlorospiro[hexah...)Show SMILES CCOC(=O)N1CCC2(CC1)Nc1cccc(Cl)c1C(N)=N2 |c:22| Show InChI InChI=1S/C15H19ClN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19) | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124520
(4-[4'-amino-5',8'-difluorospiro[hexahydropyridine-...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C20H17F2N5O/c21-14-5-6-15(22)17-16(14)18(24)26-20(25-17)7-9-27(10-8-20)19(28)13-3-1-12(11-23)2-4-13/h1-6,25H,7-10H2,(H2,24,26) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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
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| 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, inducible
(Homo sapiens (Human)) | BDBM50124529
(5-Fluoro-2-(4-fluoro-phenyl)-1,2-dihydro-quinazoli...)Show InChI InChI=1S/C14H11F2N3/c15-9-6-4-8(5-7-9)14-18-11-3-1-2-10(16)12(11)13(17)19-14/h1-7,14,18H,(H2,17,19) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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, brain
(Homo sapiens (Human)) | BDBM50124519
(5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...)Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity against human neuronal nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50040466
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-7-phenyl-he...)Show SMILES OC(=O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C30H35NO3S/c32-29(16-10-2-1-5-11-24-12-6-3-7-13-24)31-27(22-30(33)34)23-35-28-19-17-26(18-20-28)21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-20,27H,1-2,5,10-11,16,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50124525
(4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-(1'...)Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccsc2)Nc2cccc(F)c12 |t:1| Show InChI InChI=1S/C17H17FN4OS/c18-12-2-1-3-13-14(12)15(19)21-17(20-13)5-7-22(8-6-17)16(23)11-4-9-24-10-11/h1-4,9-10,20H,5-8H2,(H2,19,21) | 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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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
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CHEMBL MCE PC cid PC sid UniChem
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| 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)) | 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, brain
(Homo sapiens (Human)) | BDBM50030279
(2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | C...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity against human neuronal nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase [136-227]
(Sus scrofa) | BDBM50040465
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-phenylsulfanyl-...)Show InChI InChI=1S/C20H29NO3S/c1-2-3-4-5-6-7-11-14-19(22)21-17(15-20(23)24)16-25-18-12-9-8-10-13-18/h7-13,17H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/b11-7+/t17-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
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
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
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| 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 UniProtKB/TrEMBL
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, inducible
(Homo sapiens (Human)) | BDBM50063300
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
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
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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 | |
Group 10 secretory phospholipase A2
(Homo sapiens (Human)) | BDBM50040455
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons plc
Curated by ChEMBL
| Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC) |
J Med Chem 37: 557-9 (1994)
BindingDB Entry DOI: 10.7270/Q28W3CB7 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 120 | 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)) | BDBM50063300
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | 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, brain
(Homo sapiens (Human)) | BDBM50098937
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12| Show InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood
Curated by ChEMBL
| Assay Description Inhibitory activity against human neuronal nitiric oxide synthase |
J Med Chem 46: 913-6 (2003)
Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 170 | 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 | |