Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000334 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246881
(CHEMBL4076292)Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C21H12ClF3N2O5S/c22-18-7-4-15(10-17(18)21(23,24)25)32-19-8-3-14(9-13(19)11-26)27-33(30,31)16-5-1-12(2-6-16)20(28)29/h1-10,27H,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246879
(CHEMBL4066748)Show SMILES CC(=O)NCc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H17ClF3N3O4S/c1-14(31)29-13-15-2-6-19(7-3-15)35(32,33)30-17-4-9-22(16(10-17)12-28)34-18-5-8-21(24)20(11-18)23(25,26)27/h2-11,30H,13H2,1H3,(H,29,31) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246900
(CHEMBL4060770)Show SMILES CN(C(C)=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H17ClF3N3O4S/c1-14(31)30(2)17-4-7-19(8-5-17)35(32,33)29-16-3-10-22(15(11-16)13-28)34-18-6-9-21(24)20(12-18)23(25,26)27/h3-12,29H,1-2H3 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246880
(CHEMBL4088042)Show SMILES FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(NC(=O)N4CCOCC4)cc3)cc2C#N)ccc1Cl Show InChI InChI=1S/C25H20ClF3N4O5S/c26-22-7-4-19(14-21(22)25(27,28)29)38-23-8-3-18(13-16(23)15-30)32-39(35,36)20-5-1-17(2-6-20)31-24(34)33-9-11-37-12-10-33/h1-8,13-14,32H,9-12H2,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246878
(CHEMBL4088985)Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C20H13ClF3N3O3S/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16/h1-10,27H,26H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246906
(CHEMBL4076690)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C22H15ClF3N3O4S/c1-13(30)28-15-2-6-18(7-3-15)34(31,32)29-16-4-9-21(14(10-16)12-27)33-17-5-8-20(23)19(11-17)22(24,25)26/h2-11,29H,1H3,(H,28,30) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246897
(CHEMBL4070470)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H15F3N4O4S/c1-14(31)29-17-3-7-20(8-4-17)35(32,33)30-18-5-9-22(16(10-18)13-28)34-19-6-2-15(12-27)21(11-19)23(24,25)26/h2-11,30H,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246901
(CHEMBL4074539)Show SMILES FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(cc3)N3CCOCC3)cc2C#N)ccc1Cl Show InChI InChI=1S/C24H19ClF3N3O4S/c25-22-7-4-19(14-21(22)24(26,27)28)35-23-8-1-17(13-16(23)15-29)30-36(32,33)20-5-2-18(3-6-20)31-9-11-34-12-10-31/h1-8,13-14,30H,9-12H2 | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246907
(CHEMBL4099132)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(F)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C22H15F4N3O4S/c1-13(30)28-15-2-6-18(7-3-15)34(31,32)29-16-4-9-21(14(10-16)12-27)33-17-5-8-20(23)19(11-17)22(24,25)26/h2-11,29H,1H3,(H,28,30) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246891
(CHEMBL4097263)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c(c1)C#N Show InChI InChI=1S/C21H15Cl2N3O4S/c1-13(27)25-15-2-6-18(7-3-15)31(28,29)26-16-4-9-21(14(10-16)12-24)30-17-5-8-19(22)20(23)11-17/h2-11,26H,1H3,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246882
(CHEMBL4096131)Show SMILES FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(cc3)N3CCNCC3)cc2C#N)ccc1Cl Show InChI InChI=1S/C24H20ClF3N4O3S/c25-22-7-4-19(14-21(22)24(26,27)28)35-23-8-1-17(13-16(23)15-29)31-36(33,34)20-5-2-18(3-6-20)32-11-9-30-10-12-32/h1-8,13-14,30-31H,9-12H2 | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246898
(CHEMBL4091394)Show SMILES FC(F)(F)c1cc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C#N)ccc1Cl Show InChI InChI=1S/C20H12ClF3N2O3S/c21-18-8-7-15(11-17(18)20(22,23)24)29-19-9-6-14(10-13(19)12-25)26-30(27,28)16-4-2-1-3-5-16/h1-11,26H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246893
(CHEMBL4104461)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(C)c2)c(c1)C#N Show InChI InChI=1S/C22H18ClN3O4S/c1-14-11-19(6-9-21(14)23)30-22-10-5-18(12-16(22)13-24)26-31(28,29)20-7-3-17(4-8-20)25-15(2)27/h3-12,26H,1-2H3,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246892
(CHEMBL4075421)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C#N)c(c1)C#N Show InChI InChI=1S/C22H15ClN4O4S/c1-14(28)26-17-2-6-20(7-3-17)32(29,30)27-18-4-9-22(16(10-18)13-25)31-19-5-8-21(23)15(11-19)12-24/h2-11,27H,1H3,(H,26,28) | 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 | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246905
(CHEMBL4086960)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(F)c2)c(c1)C#N Show InChI InChI=1S/C21H15ClFN3O4S/c1-13(27)25-15-2-6-18(7-3-15)31(28,29)26-16-4-9-21(14(10-16)12-24)30-17-5-8-19(22)20(23)11-17/h2-11,26H,1H3,(H,25,27) | 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 | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246876
(CHEMBL4096681)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C21H14ClF3N2O3S/c1-13-2-6-17(7-3-13)31(28,29)27-15-4-9-20(14(10-15)12-26)30-16-5-8-19(22)18(11-16)21(23,24)25/h2-11,27H,1H3 | 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 | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246877
(CHEMBL4069457)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C20H11ClF3N3O5S/c21-18-7-4-15(10-17(18)20(22,23)24)32-19-8-1-13(9-12(19)11-25)26-33(30,31)16-5-2-14(3-6-16)27(28)29/h1-10,26H | 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 | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246887
(CHEMBL4082492)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)C#N Show InChI InChI=1S/C21H16ClN3O4S/c1-14(26)24-17-4-9-20(10-5-17)30(27,28)25-18-6-11-21(15(12-18)13-23)29-19-7-2-16(22)3-8-19/h2-12,25H,1H3,(H,24,26) | 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 | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246884
(CHEMBL4075815)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(c1)C#N Show InChI InChI=1S/C25H19N3O4S/c1-17(29)27-21-7-11-24(12-8-21)33(30,31)28-22-9-13-25(20(14-22)16-26)32-23-10-6-18-4-2-3-5-19(18)15-23/h2-15,28H,1H3,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246888
(CHEMBL4064714)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(cc2)C#N)c(c1)C#N Show InChI InChI=1S/C22H16N4O4S/c1-15(27)25-18-4-9-21(10-5-18)31(28,29)26-19-6-11-22(17(12-19)14-24)30-20-7-2-16(13-23)3-8-20/h2-12,26H,1H3,(H,25,27) | 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 | 613 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246895
(CHEMBL4066303)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(Cc3ccccc3)c2)c(c1)C#N Show InChI InChI=1S/C28H22ClN3O4S/c1-19(33)31-23-7-11-26(12-8-23)37(34,35)32-24-9-14-28(22(16-24)18-30)36-25-10-13-27(29)21(17-25)15-20-5-3-2-4-6-20/h2-14,16-17,32H,15H2,1H3,(H,31,33) | 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 | 902 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246894
(CHEMBL4087657)Show SMILES COc1cc(Oc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C#N)ccc1Cl Show InChI InChI=1S/C22H18ClN3O5S/c1-14(27)25-16-3-7-19(8-4-16)32(28,29)26-17-5-10-21(15(11-17)13-24)31-18-6-9-20(23)22(12-18)30-2/h3-12,26H,1-2H3,(H,25,27) | 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 | 924 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246896
(CHEMBL4081095)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)c(c2)-c2ccccc2)c(c1)C#N Show InChI InChI=1S/C27H20ClN3O4S/c1-18(32)30-21-7-11-24(12-8-21)36(33,34)31-22-9-14-27(20(15-22)17-29)35-23-10-13-26(28)25(16-23)19-5-3-2-4-6-19/h2-16,31H,1H3,(H,30,32) | 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 | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246904
(CHEMBL4075288)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(c1)C#N Show InChI InChI=1S/C21H16FN3O4S/c1-14(26)24-17-4-9-20(10-5-17)30(27,28)25-18-6-11-21(15(12-18)13-23)29-19-7-2-16(22)3-8-19/h2-12,25H,1H3,(H,24,26) | 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 | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246903
(CHEMBL4101871)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(F)c1 Show InChI InChI=1S/C24H19FN2O4S/c1-16(28)26-19-7-11-22(12-8-19)32(29,30)27-20-9-13-24(23(25)15-20)31-21-10-6-17-4-2-3-5-18(17)14-21/h2-15,27H,1H3,(H,26,28) | 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 | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246885
(CHEMBL4100925)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccc3ccccc3c2)c(c1)C#N Show InChI InChI=1S/C25H20N4O3S/c1-17(30)27-21-8-11-24(12-9-21)33(31,32)29-23-10-13-25(20(15-23)16-26)28-22-7-6-18-4-2-3-5-19(18)14-22/h2-15,28-29H,1H3,(H,27,30) | 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 | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246886
(CHEMBL4088612)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)C#N Show InChI InChI=1S/C21H17N3O4S/c1-15(25)23-17-7-10-20(11-8-17)29(26,27)24-18-9-12-21(16(13-18)14-22)28-19-5-3-2-4-6-19/h2-13,24H,1H3,(H,23,25) | 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 | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246883
(CHEMBL4069230)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C24H20N2O4S/c1-17(27)25-20-9-14-24(15-10-20)31(28,29)26-21-7-12-22(13-8-21)30-23-11-6-18-4-2-3-5-19(18)16-23/h2-16,26H,1H3,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50246902
(CHEMBL4076637)Show InChI InChI=1S/C7H7F2NO2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrat... |
J Med Chem 60: 10231-10244 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01530
BindingDB Entry DOI: 10.7270/Q2959M00 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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