Found 123 hits with Last Name = 'hartopp' and Initial = 'p' 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)) | 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)) | 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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110881
(4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)...)Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H28O5S/c28-23(19-31-24-12-10-22(11-13-24)27(29)30)20-32-25-14-16-26(17-15-25)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110846
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110859
(CHEMBL26200 | {4-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(O)=O)cc2)cc1 Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-31-24-14-16-26(17-15-24)33-21-23(28)20-32-25-12-10-22(11-13-25)19-27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110854
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-nitro-b...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1 Show InChI InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110873
(4-[3-(4-Dodecyloxy-phenoxy)-2-oxo-propoxy]-benzoic...)Show SMILES CCCCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-10-11-20-32-25-16-18-27(19-17-25)34-22-24(29)21-33-26-14-12-23(13-15-26)28(30)31/h12-19H,2-11,20-22H2,1H3,(H,30,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110846
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110875
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-pentanoic...)Show InChI InChI=1S/C24H38O6/c1-2-3-4-5-6-7-8-10-18-29-22-13-15-23(16-14-22)30-20-21(25)19-28-17-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110865
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-32-25-13-15-26(16-14-25)33-21-24(28)20-31-19-22-11-10-12-23(18-22)27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110872
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-32-25-14-16-26(17-15-25)33-21-24(28)20-31-19-22-10-12-23(13-11-22)27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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) |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110884
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110879
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110888
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-17-30-23-13-15-24(16-14-23)31-19-22(27)20-32-25-12-10-11-21(18-25)26(28)29/h10-16,18H,2-9,17,19-20H2,1H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110860
(CHEMBL29247 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(CC(O)=O)c2)cc1 Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-31-24-13-15-25(16-14-24)32-20-23(28)21-33-26-12-10-11-22(18-26)19-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110853
(CHEMBL29246 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(O)=O)c2)cc1 Show InChI InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-17-31-23-13-15-24(16-14-23)32-19-22(28)20-33-25-11-10-12-26(18-25)34-21-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110863
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pe...)Show InChI InChI=1S/C24H38O5S/c1-2-3-4-5-6-7-8-10-17-28-22-13-15-23(16-14-22)29-19-21(25)20-30-18-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110871
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-methoxy...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2OC)C(O)=O)cc1 Show InChI InChI=1S/C27H36O7/c1-3-4-5-6-7-8-9-10-17-32-23-12-14-24(15-13-23)33-19-22(28)20-34-25-16-11-21(27(29)30)18-26(25)31-2/h11-16,18H,3-10,17,19-20H2,1-2H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110881
(4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)...)Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H28O5S/c28-23(19-31-24-12-10-22(11-13-24)27(29)30)20-32-25-14-16-26(17-15-25)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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)) | 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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110854
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-nitro-b...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1 Show InChI InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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 |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110859
(CHEMBL26200 | {4-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(O)=O)cc2)cc1 Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-31-24-14-16-26(17-15-24)33-21-23(28)20-32-25-12-10-22(11-13-25)19-27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| 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 cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110878
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-bu...)Show InChI InChI=1S/C23H36O5S/c1-2-3-4-5-6-7-8-9-16-27-21-12-14-22(15-13-21)28-18-20(24)19-29-17-10-11-23(25)26/h12-15H,2-11,16-19H2,1H3,(H,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110865
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-32-25-13-15-26(16-14-25)33-21-24(28)20-31-19-22-11-10-12-23(18-22)27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide production |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110853
(CHEMBL29246 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(O)=O)c2)cc1 Show InChI InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-17-31-23-13-15-24(16-14-23)32-19-22(28)20-33-25-11-10-12-26(18-25)34-21-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110889
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-butyric a...)Show InChI InChI=1S/C23H36O6/c1-2-3-4-5-6-7-8-9-17-28-21-12-14-22(15-13-21)29-19-20(24)18-27-16-10-11-23(25)26/h12-15H,2-11,16-19H2,1H3,(H,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110880
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pr...)Show InChI InChI=1S/C22H34O5S/c1-2-3-4-5-6-7-8-9-15-26-20-10-12-21(13-11-20)27-17-19(23)18-28-16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110857
(4-[3-(4-Hexyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)Show InChI InChI=1S/C22H26O6/c1-2-3-4-5-14-26-19-10-12-21(13-11-19)28-16-18(23)15-27-20-8-6-17(7-9-20)22(24)25/h6-13H,2-5,14-16H2,1H3,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
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 | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110877
(3-[2-Oxo-3-(4-tetradecyloxy-phenoxy)-propylsulfany...)Show InChI InChI=1S/C26H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-24-14-16-25(17-15-24)31-21-23(27)22-32-20-18-26(28)29/h14-17H,2-13,18-22H2,1H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
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 | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110884
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110879
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110886
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propane-1-sulfonyl...)Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CS(=O)(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C22H34O7S/c1-2-3-4-5-6-7-8-9-15-28-20-10-12-21(13-11-20)29-17-19(23)18-30(26,27)16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of NET |
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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide production |
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 | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110850
(CHEMBL281320 | {3-[3-(4-Decyloxy-benzyloxy)-2-oxo-...)Show SMILES CCCCCCCCCCOc1ccc(COCC(=O)COc2cccc(CC(O)=O)c2)cc1 Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-17-33-26-15-13-23(14-16-26)20-32-21-25(29)22-34-27-12-10-11-24(18-27)19-28(30)31/h10-16,18H,2-9,17,19-22H2,1H3,(H,30,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
Cytosolic phospholipase A2 beta
(Homo sapiens (Human)) | BDBM50110855
(3-[4-(4-Decyloxy-phenyl)-2-oxo-butoxy]-benzoic aci...)Show SMILES CCCCCCCCCCOc1ccc(CCC(=O)COc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C27H36O5/c1-2-3-4-5-6-7-8-9-19-31-25-17-14-22(15-18-25)13-16-24(28)21-32-26-12-10-11-23(20-26)27(29)30/h10-12,14-15,17-18,20H,2-9,13,16,19,21H2,1H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay |
J Med Chem 45: 1348-62 (2002)
BindingDB Entry DOI: 10.7270/Q2F76BVP |
More data for this
Ligand-Target Pair | |
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