Found 163 hits with Last Name = 'potjewyd' and Initial = 'f' 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 |
|---|
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50501623
(CHEMBL4062929)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Netherlands Institute
Curated by ChEMBL
| Assay Description
Competitive inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in LPC hydrolysis measured every 30 secs for 90 mins by Lin... |
J Med Chem 60: 2006-2017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01743
BindingDB Entry DOI: 10.7270/Q22F7RGR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590927
(APILIMOD | Apilimod | STA 5326 | STA-5326 | Sta-53...)Show SMILES Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.309 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590927
(APILIMOD | Apilimod | STA 5326 | STA-5326 | Sta-53...)Show SMILES Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.312 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590928
(CHEMBL2178735)Show SMILES Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590929
(CHEMBL4303292 | US20240016810, Compound TABLE 16.2)Show SMILES Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590929
(CHEMBL4303292 | US20240016810, Compound TABLE 16.2)Show SMILES Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590943
(CHEMBL5189479)Show SMILES CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590942
(CHEMBL5193848) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233915
(CHEMBL4102874)Show SMILES [Na+].Cc1c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2ccccc12 Show InChI InChI=1S/C28H21ClF2N2O3S/c1-15-26(37-21-8-4-5-16(23(21)30)27(35)36)17-9-10-19(29)24(31)25(17)32(15)13-22(34)33-14-28(11-12-28)18-6-2-3-7-20(18)33/h2-10H,11-14H2,1H3,(H,35,36)/p-1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of ATX (unknown origin) using lysophosphatidyl choline as substrate |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50429615
(CHEMBL2334586)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50429615
(CHEMBL2334586)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187693
(CHEMBL3186509)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29) | PDB
KEGG
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 m... |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187693
(CHEMBL3186509)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29) | PDB
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MCE
PC cid
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Netherlands Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate after 15 mins |
J Med Chem 60: 2006-2017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01743
BindingDB Entry DOI: 10.7270/Q22F7RGR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590927
(APILIMOD | Apilimod | STA 5326 | STA-5326 | Sta-53...)Show SMILES Cc1cccc(\C=N\Nc2cc(nc(OCCc3ccccn3)n2)N2CCOCC2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590929
(CHEMBL4303292 | US20240016810, Compound TABLE 16.2)Show SMILES Cc1cccc(\C=N\Nc2cc(N3CCOCC3)n3nc(cc3n2)-c2ccncc2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590939
(CHEMBL5174830) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590939
(CHEMBL5174830) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187692
(CHEMBL3827757)Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C19H15ClN4O2S/c1-11-18(27-17-5-3-4-15(22-17)19(25)26)14-7-6-12(20)8-16(14)24(11)13-9-21-23(2)10-13/h3-10H,1-2H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590956
(CHEMBL5171359) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233913
(CHEMBL4073215)Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C22H16ClNO2S/c1-14-21(27-18-9-5-6-15(12-18)22(25)26)19-11-10-16(23)13-20(19)24(14)17-7-3-2-4-8-17/h2-13H,1H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590931
(CHEMBL5181163) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590941
(CHEMBL5198944) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590939
(CHEMBL5174830) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590934
(CHEMBL5207387)Show SMILES Nc1ncc2CCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590935
(CHEMBL5171753)Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590942
(CHEMBL5193848) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590935
(CHEMBL5171753)Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233919
(CHEMBL4093897)Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C20H16ClN3O2S/c1-12-19(27-16-5-3-4-13(8-16)20(25)26)17-7-6-14(21)9-18(17)24(12)15-10-22-23(2)11-15/h3-11H,1-2H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590935
(CHEMBL5171753)Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)-c1ccc(F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590943
(CHEMBL5189479)Show SMILES CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590943
(CHEMBL5189479)Show SMILES CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50429615
(CHEMBL2334586)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TAO1
(Homo sapiens (Human)) | BDBM50429615
(CHEMBL2334586)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50501623
(CHEMBL4062929)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1 | PDB
KEGG
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| PC cid
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| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The Netherlands Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b... |
J Med Chem 60: 2006-2017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01743
BindingDB Entry DOI: 10.7270/Q22F7RGR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590931
(CHEMBL5181163) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590932
(CHEMBL5190524)Show SMILES Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)C#Cc1ccncc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187692
(CHEMBL3827757)Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C19H15ClN4O2S/c1-11-18(27-17-5-3-4-15(22-17)19(25)26)14-7-6-12(20)8-16(14)24(11)13-9-21-23(2)10-13/h3-10H,1-2H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187696
(CHEMBL3621356)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@H](Br)P(O)(O)=O |r| Show InChI InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19+/m0/s1 | PDB
KEGG
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HA-tagged ATX (unknown origin) using FS-3 as substrate measured after 2 hrs by fluorescence assay |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233921
(CHEMBL4086837)Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(C)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C20H18N4O2S/c1-12-7-8-15-17(9-12)24(14-10-21-23(3)11-14)13(2)19(15)27-18-6-4-5-16(22-18)20(25)26/h4-11H,1-3H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233930
(CHEMBL4073328)Show InChI InChI=1S/C15H11ClN2O2S/c1-8-14(10-6-5-9(16)7-12(10)17-8)21-13-4-2-3-11(18-13)15(19)20/h2-7,17H,1H3,(H,19,20) | PDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590937
(CHEMBL5188159)Show SMILES Cn1cc(cn1)-c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233924
(CHEMBL4090230)Show InChI InChI=1S/C16H13ClN2O2S/c1-9-15(11-7-6-10(17)8-13(11)19(9)2)22-14-5-3-4-12(18-14)16(20)21/h3-8H,1-2H3,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590928
(CHEMBL2178735)Show SMILES Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233909
(CHEMBL4078251)Show SMILES Cc1c(Cc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C21H18ClN3O2/c1-13-19(9-14-4-3-5-15(8-14)21(26)27)18-7-6-16(22)10-20(18)25(13)17-11-23-24(2)12-17/h3-8,10-12H,9H2,1-2H3,(H,26,27) | PDB
KEGG
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B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins |
J Med Chem 60: 722-748 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590936
(CHEMBL5200109)Show SMILES Cn1cc(cn1)-c1ccc2[nH]c3CCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590957
(CHEMBL5185288) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TAO3
(Homo sapiens (Human)) | BDBM50429615
(CHEMBL2334586)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590952
(CHEMBL5190153)Show SMILES CC(C)C(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 6
(Homo sapiens (Human)) | BDBM50429615
(CHEMBL2334586)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1 Show InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
1-phosphatidylinositol 3-phosphate 5-kinase
(Homo sapiens) | BDBM50590930
(CHEMBL5202422)Show SMILES CC(C)(O)C#Cc1ccc2[nH]c3CCCCc4cnc(N)nc4-c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
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