Found 38 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50048009 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)) | BDBM50200622
(CHEMBL3917975)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200579
(CHEMBL3917466)Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200569
(CHEMBL3946146)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23ClF2N4O2/c1-16(18-6-8-19(26)9-7-18)30-23(33)13-12-22-31-21-3-2-14-29-24(21)32(22)15-17-4-10-20(11-5-17)34-25(27)28/h2-11,14,16,25H,12-13,15H2,1H3,(H,30,33)/t16-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200572
(CHEMBL3889955)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
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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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200624
(CHEMBL3912114)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200582
(CHEMBL3944813)Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H25ClN4O2/c1-17(19-7-9-20(26)10-8-19)28-24(31)14-13-23-29-22-4-3-15-27-25(22)30(23)16-18-5-11-21(32-2)12-6-18/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,31)/t17-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200650
(CHEMBL3926932)Show SMILES OC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H22ClFN4O2/c25-18-7-5-17(6-8-18)21(15-31)29-23(32)12-11-22-28-20-2-1-13-27-24(20)30(22)14-16-3-9-19(26)10-4-16/h1-10,13,21,31H,11-12,14-15H2,(H,29,32)/t21-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200664
(CHEMBL3983022)Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H20ClF3N4O3/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-34-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200666
(CHEMBL3916898)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22F2N4O/c1-16(18-6-10-20(26)11-7-18)28-23(31)13-12-22-29-21-3-2-14-27-24(21)30(22)15-17-4-8-19(25)9-5-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,31)/t16-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200578
(CHEMBL3982059)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H22F4N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200580
(CHEMBL3907343)Show SMILES C[C@H](NC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H21ClFN5O/c1-15(17-6-8-18(24)9-7-17)28-23(31)27-13-21-29-20-3-2-12-26-22(20)30(21)14-16-4-10-19(25)11-5-16/h2-12,15H,13-14H2,1H3,(H2,27,28,31)/t15-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200651
(CHEMBL3964183)Show SMILES C[C@H](NC(=O)C[S+]([O-])c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O3S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-36(34)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-,36?/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200651
(CHEMBL3964183)Show SMILES C[C@H](NC(=O)C[S+]([O-])c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O3S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-36(34)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-,36?/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200661
(CHEMBL3907905)Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccccc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18(20-7-4-3-5-8-20)27-24(30)15-14-23-28-22-9-6-16-26-25(22)29(23)17-19-10-12-21(31-2)13-11-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,30)/t18-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200570
(CHEMBL3953575)Show SMILES Clc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H21ClN4O/c24-19-10-8-17(9-11-19)15-26-22(29)13-12-21-27-20-7-4-14-25-23(20)28(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,26,29) | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200667
(CHEMBL3954360)Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200663
(CHEMBL3934551)Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22F2N4O/c1-16(18-4-8-20(26)9-5-18)28-24(31)11-10-23-29-21-12-13-27-14-22(21)30(23)15-17-2-6-19(25)7-3-17/h2-9,12-14,16H,10-11,15H2,1H3,(H,28,31)/t16-/m0/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200621
(CHEMBL3916907)Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O/c1-18(20-11-6-3-7-12-20)26-23(29)15-14-22-27-21-13-8-16-25-24(21)28(22)17-19-9-4-2-5-10-19/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)/t18-/m0/s1 | PDB
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Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200581
(CHEMBL3945659)Show SMILES C[C@H](NC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H21F2N5O/c1-15(17-6-10-19(25)11-7-17)28-23(31)27-13-21-29-20-3-2-12-26-22(20)30(21)14-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H2,27,28,31)/t15-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200567
(CHEMBL3971187)Show InChI InChI=1S/C23H21FN4O/c24-19-10-8-17(9-11-19)15-26-22(29)13-12-21-27-20-7-4-14-25-23(20)28(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,26,29) | PDB
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| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200583
(CHEMBL3899987)Show SMILES C[C@H](NC(=O)OCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)27-23(30)31-14-21-28-20-3-2-12-26-22(20)29(21)13-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1 | PDB
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| n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200665
(CHEMBL3965701)Show InChI InChI=1S/C23H28N4O/c28-22(25-16-18-8-3-1-4-9-18)14-13-21-26-20-12-7-15-24-23(20)27(21)17-19-10-5-2-6-11-19/h2,5-7,10-12,15,18H,1,3-4,8-9,13-14,16-17H2,(H,25,28) | PDB
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| n/a | n/a | 444 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200564
(CHEMBL1889181)Show SMILES COc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O2/c1-30-20-11-9-18(10-12-20)16-26-23(29)14-13-22-27-21-8-5-15-25-24(21)28(22)17-19-6-3-2-4-7-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,29) | PDB
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| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200573
(CHEMBL1316911)Show InChI InChI=1S/C24H24N4O/c1-18-9-11-19(12-10-18)16-26-23(29)14-13-22-27-21-8-5-15-25-24(21)28(22)17-20-6-3-2-4-7-20/h2-12,15H,13-14,16-17H2,1H3,(H,26,29) | PDB
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| n/a | n/a | 627 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200577
(CHEMBL3928269)Show InChI InChI=1S/C21H20N4OS/c26-20(23-14-17-8-5-13-27-17)11-10-19-24-18-9-4-12-22-21(18)25(19)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,23,26) | PDB
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| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200623
(CHEMBL3971151)Show SMILES C[C@H](OC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)31-23(30)27-13-21-28-20-3-2-12-26-22(20)29(21)14-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1 | PDB
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| n/a | n/a | 957 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200626
(CHEMBL3935870)Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@H](C)c3ccccc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18(20-7-4-3-5-8-20)27-24(30)15-14-23-28-22-9-6-16-26-25(22)29(23)17-19-10-12-21(31-2)13-11-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,30)/t18-/m1/s1 | PDB
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| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200585
(CHEMBL3900026)Show InChI InChI=1S/C23H22N4O/c28-22(25-16-18-8-3-1-4-9-18)14-13-21-26-20-12-7-15-24-23(20)27(21)17-19-10-5-2-6-11-19/h1-12,15H,13-14,16-17H2,(H,25,28) | PDB
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| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200576
(CHEMBL3964218)Show InChI InChI=1S/C23H21FN4O/c24-19-10-5-4-9-18(19)15-26-22(29)13-12-21-27-20-11-6-14-25-23(20)28(21)16-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2,(H,26,29) | PDB
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| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200662
(CHEMBL3925941)Show InChI InChI=1S/C23H21FN4O/c24-19-9-4-8-18(14-19)15-26-22(29)12-11-21-27-20-10-5-13-25-23(20)28(21)16-17-6-2-1-3-7-17/h1-10,13-14H,11-12,15-16H2,(H,26,29) | PDB
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| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200575
(CHEMBL3982176)Show InChI InChI=1S/C21H20N4OS/c26-20(23-13-17-10-12-27-15-17)9-8-19-24-18-7-4-11-22-21(18)25(19)14-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13-14H2,(H,23,26) | PDB
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| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200584
(CHEMBL3936895)Show SMILES C[C@@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O/c1-18(20-11-6-3-7-12-20)26-23(29)15-14-22-27-21-13-8-16-25-24(21)28(22)17-19-9-4-2-5-10-19/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)/t18-/m1/s1 | PDB
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| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200574
(CHEMBL3963088)Show SMILES C[C@H](NC(=O)CS(=O)(=O)c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O4S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-37(34,35)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)36-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1 | PDB
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| n/a | n/a | 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200571
(CHEMBL3918210)Show InChI InChI=1S/C24H24N4O/c29-23(25-17-15-19-8-3-1-4-9-19)14-13-22-27-21-12-7-16-26-24(21)28(22)18-20-10-5-2-6-11-20/h1-12,16H,13-15,17-18H2,(H,25,29) | PDB
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| n/a | n/a | 3.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200625
(CHEMBL3960120)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O3S/c1-32(30,31)20-11-9-18(10-12-20)16-26-23(29)14-13-22-27-21-8-5-15-25-24(21)28(22)17-19-6-3-2-4-7-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,29) | PDB
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| n/a | n/a | 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200649
(CHEMBL1885417)Show InChI InChI=1S/C20H24N4O/c1-2-3-13-21-19(25)12-11-18-23-17-10-7-14-22-20(17)24(18)15-16-8-5-4-6-9-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,21,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50200568
(CHEMBL3921184)Show InChI InChI=1S/C22H21N5O/c28-21(25-15-18-9-4-5-13-23-18)12-11-20-26-19-10-6-14-24-22(19)27(20)16-17-7-2-1-3-8-17/h1-10,13-14H,11-12,15-16H2,(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... |
Bioorg Med Chem Lett 26: 5403-5410 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1 |
More data for this
Ligand-Target Pair | |
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