Found 83 hits with Last Name = 'afantitis' and Initial = 'a' 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 |
|---|
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490702
(CHEMBL2337686)Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C35H33N10/c1-2-3-8-29-23-44(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34-36-40-41-37-34)24-45(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35-38-42-43-39-35/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3,(H,36,37,40,41)(H,38,39,42,43)/q+1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.347 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490707
(CHEMBL2337687)Show SMILES [K;v0+].[K;v0+].[Br-].[#6]-[#6]-[#6]-[#6]-c1c[n+](-[#6]-c2ccc(cc2)-c2ccccc2-c2nn[n-]n2)cn1-[#6]-c1ccc(cc1)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C35H31N10/c1-2-3-8-29-23-44(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34-36-40-41-37-34)24-45(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35-38-42-43-39-35/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3/q-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.912 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | 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
MMDB
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse ATX expressed in HEK293 cells using LPC 17:0 as substrate after 30 mins by LC-MS/MS method |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | 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
MMDB
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CHEMBL
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PC cid
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse ATX expressed in HEK293 cells using FS3 as substrate preincubated for 15 mins followed by substrate addition measured... |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490709
(CHEMBL2337688)Show SMILES [Na;v0+].[Na;v0+].[Br-].[#6]-[#6]-[#6]-[#6]-c1c[n+](-[#6]-c2ccc(cc2)-c2ccccc2-c2nn[n-]n2)cn1-[#6]-c1ccc(cc1)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C35H31N10/c1-2-3-8-29-23-44(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34-36-40-41-37-34)24-45(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35-38-42-43-39-35/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3/q-1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490706
(CHEMBL2337677)Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C36H35N10O/c1-2-3-8-29-23-45(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)35-37-41-42-38-35)34(24-47)46(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)36-39-43-44-40-36/h4-7,9-20,23,47H,2-3,8,21-22,24H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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PC sid
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Patents
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| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ataxin-2
(Mus musculus) | BDBM50539271
(CHEMBL4643186)Show SMILES OB(O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C26H27BN2O5/c30-25-15-14-24(29(25)17-20-4-2-1-3-5-20)26(31)28-16-19-8-12-23(13-9-19)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24,32-33H,14-18H2,(H,28,31)/t24-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490699
(CHEMBL2337681)Show SMILES [Br-].CCCCc1c(Br)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C36H34BrN10O/c1-2-3-12-32-34(37)47(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)36-40-44-45-41-36)33(23-48)46(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)35-38-42-43-39-35/h4-11,13-20,48H,2-3,12,21-23H2,1H3,(H,38,39,42,43)(H,40,41,44,45)/q+1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ataxin-2
(Mus musculus) | BDBM50539260
(CHEMBL4640637)Show SMILES CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C32H37BN2O5/c1-31(2)32(3,4)40-33(39-31)26-14-10-25(11-15-26)22-38-27-16-12-23(13-17-27)20-34-30(37)28-18-19-29(36)35(28)21-24-8-6-5-7-9-24/h5-17,28H,18-22H2,1-4H3,(H,34,37)/t28-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264197
(CHEMBL4094633)Show SMILES COC(=O)[C@H](CCCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C19H27N3O6/c1-28-19(26)15(10-7-13-18(25)22-27)21-17(24)12-6-5-11-16(23)20-14-8-3-2-4-9-14/h2-4,8-9,15,27H,5-7,10-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264199
(CHEMBL4086925)Show SMILES CCCC[C@@H](CCCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C21H33N3O4/c1-2-3-10-17(13-9-16-21(27)24-28)22-19(25)14-7-8-15-20(26)23-18-11-5-4-6-12-18/h4-6,11-12,17,28H,2-3,7-10,13-16H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
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
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of ATX in human whole blood assessed as decrease in LPA levels after 2 hrs by LC-MS/MS method |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ataxin-2
(Mus musculus) | BDBM50539261
(CHEMBL4635495)Show SMILES CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1 |r| Show InChI InChI=1S/C32H36BFN2O5/c1-31(2)32(3,4)41-33(40-31)25-11-5-24(6-12-25)21-39-27-15-9-22(10-16-27)19-35-30(38)28-17-18-29(37)36(28)20-23-7-13-26(34)14-8-23/h5-16,28H,17-21H2,1-4H3,(H,35,38)/t28-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Ataxin-2
(Mus musculus) | BDBM50539262
(CHEMBL4641981)Show SMILES CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C32H37BN2O5/c1-31(2)32(3,4)40-33(39-31)26-14-10-25(11-15-26)22-38-27-16-12-23(13-17-27)20-34-30(37)28-18-19-29(36)35(28)21-24-8-6-5-7-9-24/h5-17,28H,18-22H2,1-4H3,(H,34,37)/t28-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264200
(CHEMBL4094307)Show InChI InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(25)23-20-16-14-19(15-17-20)18-22(26)24-27/h14-17,27H,2-13,18H2,1H3,(H,23,25)(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264201
(CHEMBL4083130)Show InChI InChI=1S/C20H23N3O4/c24-18(22-17-11-9-15(10-12-17)14-19(25)23-27)8-4-5-13-21-20(26)16-6-2-1-3-7-16/h1-3,6-7,9-12,27H,4-5,8,13-14H2,(H,21,26)(H,22,24)(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264228
(CHEMBL4086545)Show InChI InChI=1S/C20H23N3O4/c24-18(21-16-6-2-1-3-7-16)8-4-5-9-19(25)22-17-12-10-15(11-13-17)14-20(26)23-27/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,21,24)(H,22,25)(H,23,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264243
(CHEMBL4078700)Show SMILES CCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490704
(CHEMBL2337684)Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2C(O)=O)cn1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C35H32N2O4/c1-2-3-8-29-23-36(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)34(38)39)24-37(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)35(40)41/h4-7,9-20,23-24H,2-3,8,21-22H2,1H3,(H-,38,39,40,41)/p+1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264245
(CHEMBL4103745)Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C18H25N3O6/c1-27-18(25)14(11-12-17(24)21-26)20-16(23)10-6-5-9-15(22)19-13-7-3-2-4-8-13/h2-4,7-8,14,26H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
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PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490698
(CHEMBL2337683)Show SMILES [Br-].CCCCc1n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(CO)c[n+]1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C36H35N10O/c1-2-3-12-34-45(21-25-13-17-27(18-14-25)30-8-4-6-10-32(30)35-37-41-42-38-35)23-29(24-47)46(34)22-26-15-19-28(20-16-26)31-9-5-7-11-33(31)36-39-43-44-40-36/h4-11,13-20,23,47H,2-3,12,21-22,24H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264203
(CHEMBL4084867)Show SMILES FC(F)(F)C(F)(F)C(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C22H21F5N2O3/c23-21(24,22(25,26)27)18(30)14-15-10-12-17(13-11-15)29-20(32)9-5-4-8-19(31)28-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,28,31)(H,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| 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 |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490708
(CHEMBL2337685)Show SMILES [Br-].CCCCc1c[n+](Cc2ccc(cc2)-c2ccccc2C(O)=O)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C36H34N2O5/c1-2-3-8-29-23-37(21-25-13-17-27(18-14-25)30-9-4-6-11-32(30)35(40)41)34(24-39)38(29)22-26-15-19-28(20-16-26)31-10-5-7-12-33(31)36(42)43/h4-7,9-20,23,39H,2-3,8,21-22,24H2,1H3,(H-,40,41,42,43)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264202
(CHEMBL4074600)Show InChI InChI=1S/C21H26N2O3/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)22-19-14-12-18(13-15-19)16-21(25)23-26/h3,5-6,9-10,12-15,26H,1-2,4,7-8,11,16H2,(H,22,24)(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ataxin-2
(Mus musculus) | BDBM50539266
(CHEMBL4634443)Show SMILES ONC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-25-15-14-24(30(25)17-20-4-2-1-3-5-20)27(33)28-16-19-8-12-23(13-9-19)35-18-21-6-10-22(11-7-21)26(32)29-34/h1-13,24,34H,14-18H2,(H,28,33)(H,29,32)/t24-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264239
(CHEMBL4079494)Show InChI InChI=1S/C18H21BN2O4/c22-17(20-15-6-2-1-3-7-15)8-4-5-9-18(23)21-16-12-10-14(11-13-16)19(24)25/h1-3,6-7,10-13,24-25H,4-5,8-9H2,(H,20,22)(H,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490701
(CHEMBL2337679)Show SMILES [Br-].CCCCc1c(Br)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C35H32BrN10/c1-2-3-12-32-33(36)46(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35)23-45(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34/h4-11,13-20,23H,2-3,12,21-22H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 708 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ataxin-2
(Mus musculus) | BDBM50539280
(CHEMBL4649464)Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)cc2)cc1 |r| Show InChI InChI=1S/C27H27FN2O4/c28-23-11-5-20(6-12-23)17-30-15-1-2-25(30)26(31)29-16-19-7-13-24(14-8-19)34-18-21-3-9-22(10-4-21)27(32)33/h3-14,25H,1-2,15-18H2,(H,29,31)(H,32,33)/t25-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490703
(CHEMBL2337678)Show SMILES [Br-].CCCCc1c(Cl)[n+](Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C35H32ClN10/c1-2-3-12-32-33(36)46(22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35)23-45(32)21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34/h4-11,13-20,23H,2-3,12,21-22H2,1H3,(H,37,38,41,42)(H,39,40,43,44)/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 832 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264243
(CHEMBL4078700)Show SMILES CCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27) | PDB
MMDB
KEGG
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B.MOAD
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264200
(CHEMBL4094307)Show InChI InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(25)23-20-16-14-19(15-17-20)18-22(26)24-27/h14-17,27H,2-13,18H2,1H3,(H,23,25)(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264201
(CHEMBL4083130)Show InChI InChI=1S/C20H23N3O4/c24-18(22-17-11-9-15(10-12-17)14-19(25)23-27)8-4-5-13-21-20(26)16-6-2-1-3-7-16/h1-3,6-7,9-12,27H,4-5,8,13-14H2,(H,21,26)(H,22,24)(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264230
(CHEMBL4095062)Show SMILES COc1ccc(cc1)C(=O)NCCCCC(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C21H25N3O5/c1-29-18-11-7-16(8-12-18)21(27)22-13-3-2-4-19(25)23-17-9-5-15(6-10-17)14-20(26)24-28/h5-12,28H,2-4,13-14H2,1H3,(H,22,27)(H,23,25)(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264228
(CHEMBL4086545)Show InChI InChI=1S/C20H23N3O4/c24-18(21-16-6-2-1-3-7-16)8-4-5-9-19(25)22-17-12-10-15(11-13-17)14-20(26)23-27/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,21,24)(H,22,25)(H,23,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50490705
(CHEMBL2337682)Show SMILES [Br-].CCCCc1n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)cc[n+]1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C35H33N10/c1-2-3-12-33-44(23-25-13-17-27(18-14-25)29-8-4-6-10-31(29)34-36-40-41-37-34)21-22-45(33)24-26-15-19-28(20-16-26)30-9-5-7-11-32(30)35-38-42-43-39-35/h4-11,13-22H,2-3,12,23-24H2,1H3,(H,36,37,40,41)(H,38,39,42,43)/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis |
Eur J Med Chem 62: 352-70 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.044
BindingDB Entry DOI: 10.7270/Q2DF6V47 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264202
(CHEMBL4074600)Show InChI InChI=1S/C21H26N2O3/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)22-19-14-12-18(13-15-19)16-21(25)23-26/h3,5-6,9-10,12-15,26H,1-2,4,7-8,11,16H2,(H,22,24)(H,23,25) | PDB
MMDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264244
(CHEMBL4104444)Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C22H27N3O4/c26-20(23-18-8-4-3-5-9-18)10-6-1-2-7-11-21(27)24-19-14-12-17(13-15-19)16-22(28)25-29/h3-5,8-9,12-15,29H,1-2,6-7,10-11,16H2,(H,23,26)(H,24,27)(H,25,28) | PDB
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| PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264203
(CHEMBL4084867)Show SMILES FC(F)(F)C(F)(F)C(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C22H21F5N2O3/c23-21(24,22(25,26)27)18(30)14-15-10-12-17(13-11-15)29-20(32)9-5-4-8-19(31)28-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,28,31)(H,29,32) | PDB
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UniChem
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PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264227
(CHEMBL4096724)Show SMILES CCCCOc1ccc(CCCCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C23H30N2O4/c1-2-3-16-29-21-14-10-18(11-15-21)6-4-5-7-22(26)24-20-12-8-19(9-13-20)17-23(27)25-28/h8-15,28H,2-7,16-17H2,1H3,(H,24,26)(H,25,27) | PDB
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PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264239
(CHEMBL4079494)Show InChI InChI=1S/C18H21BN2O4/c22-17(20-15-6-2-1-3-7-15)8-4-5-9-18(23)21-16-12-10-14(11-13-16)19(24)25/h1-3,6-7,10-13,24-25H,4-5,8-9H2,(H,20,22)(H,21,23) | PDB
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PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264242
(CHEMBL4062177)Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C19H27N3O7/c1-28-14-9-7-13(8-10-14)20-16(23)5-3-4-6-17(24)21-15(19(26)29-2)11-12-18(25)22-27/h7-10,15,27H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t15-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ataxin-2
(Mus musculus) | BDBM50539250
(CHEMBL4635420)Show SMILES OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C27H26N2O5/c30-25-15-14-24(29(25)17-20-4-2-1-3-5-20)26(31)28-16-19-8-12-23(13-9-19)34-18-21-6-10-22(11-7-21)27(32)33/h1-13,24H,14-18H2,(H,28,31)(H,32,33)/t24-/m0/s1 | KEGG
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in clea... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115216
BindingDB Entry DOI: 10.7270/Q2057KFV |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264196
(CHEMBL4074111)Show SMILES CCOc1ccc(NC(=O)CCCCC(=O)N[C@@H](CCC(=O)NO)C(=O)OC)cc1 |r| Show InChI InChI=1S/C20H29N3O7/c1-3-30-15-10-8-14(9-11-15)21-17(24)6-4-5-7-18(25)22-16(20(27)29-2)12-13-19(26)23-28/h8-11,16,28H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t16-/m0/s1 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264198
(CHEMBL4075039)Show SMILES COC(=O)[C@H](CCCC(=O)NO)NC(=O)CCCCCCc1ccccc1 |r| Show InChI InChI=1S/C20H30N2O5/c1-27-20(25)17(13-9-15-19(24)22-26)21-18(23)14-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,11-12,17,26H,2-3,5,8-10,13-15H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1 | PDB
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PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264204
(CHEMBL4068587)Show InChI InChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-9-17(21)19-16-12-10-15(11-13-16)14-18(22)20-23/h10-13,23H,2-9,14H2,1H3,(H,19,21)(H,20,22) | PDB
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PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264224
(CHEMBL4066792)Show InChI InChI=1S/C23H30N2O3/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)23(27)24-21-15-11-19(12-16-21)17-22(26)25-28/h9-16,28H,2-8,17H2,1H3,(H,24,27)(H,25,26) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264226
(CHEMBL4077775)Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H26N2O3/c28-24(26-23-16-12-20(13-17-23)18-25(29)27-30)9-5-4-6-19-10-14-22(15-11-19)21-7-2-1-3-8-21/h1-3,7-8,10-17,30H,4-6,9,18H2,(H,26,28)(H,27,29) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264229
(CHEMBL4101117)Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCNC(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H22FN3O4/c21-16-8-6-15(7-9-16)20(27)22-12-2-1-3-18(25)23-17-10-4-14(5-11-17)13-19(26)24-28/h4-11,28H,1-3,12-13H2,(H,22,27)(H,23,25)(H,24,26) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50264235
(CHEMBL4102821)Show InChI InChI=1S/C20H22N2O4/c23-18(21-16-6-2-1-3-7-16)8-4-5-9-19(24)22-17-12-10-15(11-13-17)14-20(25)26/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,21,23)(H,22,24)(H,25,26) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay |
J Med Chem 61: 3697-3711 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G |
More data for this
Ligand-Target Pair | |
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