Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50046814 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 |
|---|
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50125265
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | 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
| PDB
Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 (unknown origin) |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50125265
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | 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
| PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132818
(CHEMBL3634553)Show SMILES Fc1cc(COc2ccn3c(cnc3n2)-c2cncnc2)cc(F)c1Oc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H13ClF5N5O2/c25-17-2-1-15(7-16(17)24(28,29)30)37-22-18(26)5-13(6-19(22)27)11-36-21-3-4-35-20(10-33-23(35)34-21)14-8-31-12-32-9-14/h1-10,12H,11H2 | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132817
(CHEMBL3634550)Show SMILES FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(cnc4n3)-c3cncnc3)cc2C#N)ccc1Cl Show InChI InChI=1S/C25H14ClF3N6O2/c26-20-3-2-18(8-19(20)25(27,28)29)37-22-4-1-15(7-16(22)9-30)13-36-23-5-6-35-21(12-33-24(35)34-23)17-10-31-14-32-11-17/h1-8,10-12,14H,13H2 | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132839
(CHEMBL3634561)Show SMILES FC(F)(F)c1cc(Oc2ccc(CCOc3nc(=O)c(Cc4cncnc4)c[nH]3)cc2)ccc1Cl Show InChI InChI=1S/C24H18ClF3N4O3/c25-21-6-5-19(10-20(21)24(26,27)28)35-18-3-1-15(2-4-18)7-8-34-23-31-13-17(22(33)32-23)9-16-11-29-14-30-12-16/h1-6,10-14H,7-9H2,(H,31,32,33) | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132816
(CHEMBL3634549)Show SMILES Fc1cc(COc2ccn3c(cnc3n2)-c2cncnc2)ccc1Oc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H14ClF4N5O2/c25-18-3-2-16(8-17(18)24(27,28)29)36-21-4-1-14(7-19(21)26)12-35-22-5-6-34-20(11-32-23(34)33-22)15-9-30-13-31-10-15/h1-11,13H,12H2 | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132838
(CHEMBL3634557)Show SMILES Fc1cc(COc2ccn3c(cnc3n2)-c2cncnc2)cc(F)c1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H13Cl2F2N5O2/c24-16-2-1-15(7-17(16)25)34-22-18(26)5-13(6-19(22)27)11-33-21-3-4-32-20(10-30-23(32)31-21)14-8-28-12-29-9-14/h1-10,12H,11H2 | 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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132819
(CHEMBL3634555)Show SMILES Fc1ccc(Oc2c(F)cc(COc3ccn4c(cnc4n3)-c3cncnc3)cc2F)cc1C(F)(F)F Show InChI InChI=1S/C24H13F6N5O2/c25-17-2-1-15(7-16(17)24(28,29)30)37-22-18(26)5-13(6-19(22)27)11-36-21-3-4-35-20(10-33-23(35)34-21)14-8-31-12-32-9-14/h1-10,12H,11H2 | 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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132811
(CHEMBL3634454)Show SMILES FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(cnc4n3)-c3cncnc3)cc2)ccc1Cl Show InChI InChI=1S/C24H15ClF3N5O2/c25-20-6-5-18(9-19(20)24(26,27)28)35-17-3-1-15(2-4-17)13-34-22-7-8-33-21(12-31-23(33)32-22)16-10-29-14-30-11-16/h1-12,14H,13H2 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132810
(CHEMBL3634452)Show SMILES FC(F)(F)c1cc(Oc2ccc(CCOc3ccn4c(cnc4n3)-c3cncnc3)cc2)ccc1Cl Show InChI InChI=1S/C25H17ClF3N5O2/c26-21-6-5-19(11-20(21)25(27,28)29)36-18-3-1-16(2-4-18)8-10-35-23-7-9-34-22(14-32-24(34)33-23)17-12-30-15-31-13-17/h1-7,9,11-15H,8,10H2 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132820
(CHEMBL3634556)Show SMILES Fc1cc(COc2ccn3c(cnc3n2)-c2cncnc2)cc(F)c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H14F5N5O2/c25-18-6-14(7-19(26)22(18)36-17-3-1-2-16(8-17)24(27,28)29)12-35-21-4-5-34-20(11-32-23(34)33-21)15-9-30-13-31-10-15/h1-11,13H,12H2 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132814
(CHEMBL3634545)Show SMILES COc1ncc(cn1)-c1cnc2nc(OCc3ccc(Oc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn12 Show InChI InChI=1S/C25H17ClF3N5O3/c1-35-24-31-11-16(12-32-24)21-13-30-23-33-22(8-9-34(21)23)36-14-15-2-4-17(5-3-15)37-18-6-7-20(26)19(10-18)25(27,28)29/h2-13H,14H2,1H3 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132813
(CHEMBL3634460)Show SMILES FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(cnc4n3)-c3ccncc3)cc2)ccc1Cl Show InChI InChI=1S/C25H16ClF3N4O2/c26-21-6-5-19(13-20(21)25(27,28)29)35-18-3-1-16(2-4-18)15-34-23-9-12-33-22(14-31-24(33)32-23)17-7-10-30-11-8-17/h1-14H,15H2 | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132815
(CHEMBL3634546)Show SMILES Cn1cc(cn1)-c1cnc2nc(OCc3ccc(Oc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn12 Show InChI InChI=1S/C24H17ClF3N5O2/c1-32-13-16(11-30-32)21-12-29-23-31-22(8-9-33(21)23)34-14-15-2-4-17(5-3-15)35-18-6-7-20(25)19(10-18)24(26,27)28/h2-13H,14H2,1H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50132812
(CHEMBL3634459)Show SMILES FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(cnc4n3)-c3cccnc3)cc2)ccc1Cl Show InChI InChI=1S/C25H16ClF3N4O2/c26-21-8-7-19(12-20(21)25(27,28)29)35-18-5-3-16(4-6-18)15-34-23-9-11-33-22(14-31-24(33)32-23)17-2-1-10-30-13-17/h1-14H,15H2 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins |
J Med Chem 58: 8529-41 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01024
BindingDB Entry DOI: 10.7270/Q2VQ34H4 |
More data for this
Ligand-Target Pair | |
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