Found 9 hits of ec50 data for polymerid = 7135 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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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Babraham Research Campus
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ATX/LPC 18:1-mediated mouse 4T1 cell migration after overnight incubation by Transwell assay |
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)) | BDBM50605406
(CHEMBL5190935)Show SMILES [H][C@@]1(CC[C@@]2([H])C3[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCC(CC1)Oc1ccc(cc1)B(O)O |r| | PDB
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| Article
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| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50605406
(CHEMBL5190935)Show SMILES [H][C@@]1(CC[C@@]2([H])C3[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCC(CC1)Oc1ccc(cc1)B(O)O |r| | PDB
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| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50605405
(CHEMBL5196449)Show SMILES [K;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[#6]3-[#6@@H](-[#8])-[#6][C@]4([H])[#6]-[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-c1ccc(cc1)[B-](F)(F)F |r| | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50605405
(CHEMBL5196449)Show SMILES [K;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[#6]3-[#6@@H](-[#8])-[#6][C@]4([H])[#6]-[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-c1ccc(cc1)[B-](F)(F)F |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50605406
(CHEMBL5190935)Show SMILES [H][C@@]1(CC[C@@]2([H])C3[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCC(CC1)Oc1ccc(cc1)B(O)O |r| | PDB
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| n/a | n/a | n/a | n/a | 186 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50439703
(CHEMBL2418930)Show SMILES CC(C)C1CCC(C)CC1OCC(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cc2)C(=O)N2CCCC2C(N)=O)CC1 Show InChI InChI=1S/C37H58N4O4/c1-26(2)32-14-9-27(3)24-34(32)45-25-35(42)40-22-17-29(18-23-40)7-4-6-28-15-20-39(21-16-28)31-12-10-30(11-13-31)37(44)41-19-5-8-33(41)36(38)43/h10-13,26-29,32-34H,4-9,14-25H2,1-3H3,(H2,38,43) | PDB
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| CHEMBL
PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a |
The University of Memphis
Curated by ChEMBL
| Assay Description
Activation of C-terminal FLAG-tagged human recombinant autotaxin using paranitrophenyl thymidine monophosphate as substrate measured every 2 mins by ... |
Bioorg Med Chem 21: 5548-60 (2013)
Article DOI: 10.1016/j.bmc.2013.05.061
BindingDB Entry DOI: 10.7270/Q2SF2XKS |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50439706
(CHEMBL2418933)Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cn2)C(=O)NC(C(C)O)C(N)=O)CC1 Show InChI InChI=1S/C36H53N5O4/c1-24(2)22-29-8-10-30(11-9-29)25(3)36(45)41-20-16-28(17-21-41)7-5-6-27-14-18-40(19-15-27)32-13-12-31(23-38-32)35(44)39-33(26(4)42)34(37)43/h8-13,23-28,33,42H,5-7,14-22H2,1-4H3,(H2,37,43)(H,39,44) | PDB
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| n/a | n/a | n/a | n/a | 4.31E+3 | n/a | n/a | n/a | n/a |
The University of Memphis
Curated by ChEMBL
| Assay Description
Activation of C-terminal FLAG-tagged human recombinant autotaxin using paranitrophenyl thymidine monophosphate as substrate measured every 2 mins by ... |
Bioorg Med Chem 21: 5548-60 (2013)
Article DOI: 10.1016/j.bmc.2013.05.061
BindingDB Entry DOI: 10.7270/Q2SF2XKS |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50439704
(CHEMBL2418934)Show SMILES CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)Cc2ccc(cc2)-c2ccccc2)CC1)C(N)=O Show InChI InChI=1S/C37H47N5O4/c1-26(43)35(36(38)45)40-37(46)32-14-15-33(39-25-32)41-20-16-27(17-21-41)6-5-7-28-18-22-42(23-19-28)34(44)24-29-10-12-31(13-11-29)30-8-3-2-4-9-30/h2-4,8-15,25-28,35,43H,5-7,16-24H2,1H3,(H2,38,45)(H,40,46) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 4.44E+3 | n/a | n/a | n/a | n/a |
The University of Memphis
Curated by ChEMBL
| Assay Description
Activation of C-terminal FLAG-tagged human recombinant autotaxin using paranitrophenyl thymidine monophosphate as substrate measured every 2 mins by ... |
Bioorg Med Chem 21: 5548-60 (2013)
Article DOI: 10.1016/j.bmc.2013.05.061
BindingDB Entry DOI: 10.7270/Q2SF2XKS |
More data for this
Ligand-Target Pair | |
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