Found 78 hits with Last Name = 'castagna' and Initial = 'd' 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)) | BDBM50187694
(CHEMBL3828165)Show InChI InChI=1S/C21H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)19-25(22,23)24/h15-18H,2-14,19H2,1H3,(H2,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Mixed-type inhibition of human recombinant ATX using FS3 as substrate assessed as enzyme-inhibitor complex incubated for 2 hrs by Michaelis-Menten eq... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187694
(CHEMBL3828165)Show InChI InChI=1S/C21H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)19-25(22,23)24/h15-18H,2-14,19H2,1H3,(H2,22,23,24) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Mixed-type inhibition of human recombinant ATX using FS3 as substrate assessed as enzyme-substrate-inhibitor complex incubated for 2 hrs by Michaelis... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187695
(CHEMBL1632521)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)[C@@H](O)CP(O)(O)=O |r| Show InChI InChI=1S/C35H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(39)37-31(33(38)26-45(40,41)42)23-29-19-21-30(22-20-29)44-25-32-28(3)35(43-4)27(2)24-36-32/h19-22,24,31,33,38H,5-18,23,25-26H2,1-4H3,(H,37,39)(H2,40,41,42)/t31-,33-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal V5/His6-tagged ATX expressed in HEK293 cells assessed as choline release at 0.5 uM using oleoyl-lysophosph... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187695
(CHEMBL1632521)Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)[C@@H](O)CP(O)(O)=O |r| Show InChI InChI=1S/C35H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(39)37-31(33(38)26-45(40,41)42)23-29-19-21-30(22-20-29)44-25-32-28(3)35(43-4)27(2)24-36-32/h19-22,24,31,33,38H,5-18,23,25-26H2,1-4H3,(H,37,39)(H2,40,41,42)/t31-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal V5/His6-tagged ATX expressed in HEK293 cells assessed as choline release at 0.5 uM using oleoyl-lysophosph... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of human ATX using FS3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187688
(CHEMBL3828650 | US10913745, Example 1.11)Show SMILES [H][C@]12CN(C[C@]1([H])CN(C2)C(=O)c1ccc(c(F)c1)S(N)(=O)=O)C(=O)OCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enz... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187689
(CHEMBL3827513 | Example 9)Show SMILES O=C(N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1cc(ccn1)-c1cnn[nH]1 Show InChI InChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enz... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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
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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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM241106
(US9409895, 17 | US9630945, 17)Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25) | PDB
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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 human recombinant ATX expressed in HEK cells using oleoyl-lysophosphatidylcholine as substrate preincubated for 20 mins followed by sub... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187690
(CHEMBL3827088)Show SMILES Fc1ccc(Cc2ncnc3CCN(Cc23)C(=O)CCc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C24H21FN4OS/c25-17-7-5-16(6-8-17)13-21-18-14-29(12-11-19(18)26-15-27-21)24(30)10-9-23-28-20-3-1-2-4-22(20)31-23/h1-8,15H,9-14H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using FS3 as substrate incubated for 30 mins by fluorescence assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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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 recombinant ATX using FS3 as substrate incubated for 30 mins by fluorescence assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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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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)) | 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 | |
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
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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) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187689
(CHEMBL3827513 | Example 9)Show SMILES O=C(N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1cc(ccn1)-c1cnn[nH]1 Show InChI InChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31) | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of ATX-mediated LPA release in human plasma after 3 hrs by mass spectrometric analysis |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 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 | |
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
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid 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 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)) | 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
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid 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 hemagglutinin-tagged ATX (unknown origin) using FS3 as substrate incubated for 2 hrs by fluorescence plate reader analysis |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid 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)) | 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
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| 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
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B.MOAD antibodypedia GoogleScholar AffyNet
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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)) | 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
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| 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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187687
(CHEMBL3828733 | US11124490, Compound 918013)Show SMILES Fc1cccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23) | PDB
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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 recombinant human ATX using FS3 as substrate measured after 3 hrs by fluorescence assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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
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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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233941
(CHEMBL4065406)Show SMILES COc1ccc2c(Sc3cccc(n3)C(O)=O)c(C)n(-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C20H18N4O3S/c1-12-19(28-18-6-4-5-16(22-18)20(25)26)15-8-7-14(27-3)9-17(15)24(12)13-10-21-23(2)11-13/h4-11H,1-3H3,(H,25,26) | PDB
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| n/a | n/a | 75 | 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)) | 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
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| PDB Article PubMed
| n/a | n/a | 81 | 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 | 3D Structure (crystal) |
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
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| Article PubMed
| n/a | n/a | 85 | 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)) | BDBM50233934
(CHEMBL4102520)Show SMILES Cc1c(Cc2cccc(n2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C20H17ClN4O2/c1-12-17(9-14-4-3-5-18(23-14)20(26)27)16-7-6-13(21)8-19(16)25(12)15-10-22-24(2)11-15/h3-8,10-11H,9H2,1-2H3,(H,26,27) | PDB
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| Article PubMed
| n/a | n/a | 89 | 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)) | BDBM50233918
(CHEMBL4063573)Show InChI InChI=1S/C17H14ClNO2S/c1-10-16(14-7-6-12(18)9-15(14)19(10)2)22-13-5-3-4-11(8-13)17(20)21/h3-9H,1-2H3,(H,20,21) | PDB
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| n/a | n/a | 100 | 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)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of ATX in human plasma assessed as inhibition of LPA production after 2 hrs by LC-MS/MS analysis |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of human ATX using lysophosphatidylcholine as substrate preincubated with enzyme followed by substrate addition measured after 30 mins by ... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233941
(CHEMBL4065406)Show SMILES COc1ccc2c(Sc3cccc(n3)C(O)=O)c(C)n(-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C20H18N4O3S/c1-12-19(28-18-6-4-5-16(22-18)20(25)26)15-8-7-14(27-3)9-17(15)24(12)13-10-21-23(2)11-13/h4-11H,1-3H3,(H,25,26) | PDB
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| n/a | n/a | 124 | 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)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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| n/a | n/a | 131 | 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 lysophosphatidylcholine as substrate by choline release assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187694
(CHEMBL3828165)Show InChI InChI=1S/C21H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)19-25(22,23)24/h15-18H,2-14,19H2,1H3,(H2,22,23,24) | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ATX using FS3 as substrate incubated for 2 hrs by fluorescence assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233908
(CHEMBL4086139)Show SMILES Cc1c(Oc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C20H16ClN3O3/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
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Similars
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| n/a | n/a | 204 | 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
(Mus musculus) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB MMDB
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| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse ATX using lysophosphatidylcholine as substrate by choline release assay |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50233932
(CHEMBL4068117)Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2cc(Cl)ccc2n1-c1cnn(C)c1 Show InChI InChI=1S/C19H15ClN4O2S/c1-11-18(27-17-5-3-4-15(22-17)19(25)26)14-8-12(20)6-7-16(14)24(11)13-9-21-23(2)10-13/h3-10H,1-2H3,(H,25,26) | PDB
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| n/a | n/a | 258 | 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)) | BDBM50233922
(CHEMBL4083623)Show InChI InChI=1S/C16H12ClNO2S/c1-9-15(13-6-5-11(17)8-14(13)18-9)21-12-4-2-3-10(7-12)16(19)20/h2-8,18H,1H3,(H,19,20) | PDB
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| n/a | n/a | 290 | 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)) | 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
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| n/a | n/a | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant ATX in human MDA-MB-4355 cells using lysophosphatidylcholine as substrate preincubated for 15 mins followed by substrate ad... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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 | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of ATX in human MDA-MB-435S cells using lysophosphatidyl choline as substrate preincubated for 15 mins followed by substrate addition meas... |
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)) | 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 AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of ATX in human MDA-MB-435S cells using lysophosphatidyl choline as substrate preincubated for 15 mins followed by substrate addition meas... |
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)) | 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 | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of ATX in human MDA-MB-435S cells using lysophosphatidyl choline as substrate preincubated for 15 mins followed by substrate addition meas... |
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)) | BDBM50233934
(CHEMBL4102520)Show SMILES Cc1c(Cc2cccc(n2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C20H17ClN4O2/c1-12-17(9-14-4-3-5-18(23-14)20(26)27)16-7-6-13(21)8-19(16)25(12)15-10-22-24(2)11-15/h3-8,10-11H,9H2,1-2H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 339 | 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)) | BDBM50233931
(CHEMBL4094567)Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(F)cc2n1-c1ccn(C)n1 Show InChI InChI=1S/C19H15FN4O2S/c1-11-18(27-17-5-3-4-14(21-17)19(25)26)13-7-6-12(20)10-15(13)24(11)16-8-9-23(2)22-16/h3-10H,1-2H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 349 | 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)) | BDBM50187691
(CHEMBL3828178 | US9951026, 1-1)Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(F)cc2)c2cc(Cl)ccc12)\C#N Show InChI InChI=1S/C24H15ClFN3O2/c25-19-7-10-21-22(11-18(13-27)16-3-5-17(6-4-16)24(30)31)28-29(23(21)12-19)14-15-1-8-20(26)9-2-15/h1-12H,14H2,(H,30,31)/b18-11+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Inhibition of recombinant ATX in human Hep3B cells using lysophosphatidylcholine as substrate preincubated for 15 mins followed by substrate addition... |
J Med Chem 59: 5604-21 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D |
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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 604 | 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)) | 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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 660 | 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)) | BDBM50233908
(CHEMBL4086139)Show SMILES Cc1c(Oc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1 Show InChI InChI=1S/C20H16ClN3O3/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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 726 | 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)) | BDBM50233922
(CHEMBL4083623)Show InChI InChI=1S/C16H12ClNO2S/c1-9-15(13-6-5-11(17)8-14(13)18-9)21-12-4-2-3-10(7-12)16(19)20/h2-8,18H,1H3,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 747 | 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)) | BDBM50233931
(CHEMBL4094567)Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(F)cc2n1-c1ccn(C)n1 Show InChI InChI=1S/C19H15FN4O2S/c1-11-18(27-17-5-3-4-14(21-17)19(25)26)13-7-6-12(20)10-15(13)24(11)16-8-9-23(2)22-16/h3-10H,1-2H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 816 | 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 | |