Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50017842 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
(Rattus norvegicus) | 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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PubMed
| 9 | n/a | n/a | n/a | n/a | 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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| 24 | n/a | n/a | n/a | n/a | 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
(Rattus norvegicus) | BDBM50501623
(CHEMBL4062929)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | 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 | 29 | n/a | n/a | 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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | BDBM50605401
(CHEMBL5181584)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)NCCCOc1ccc(cc1)B(O)O |r| | PDB
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| n/a | n/a | 50 | n/a | n/a | 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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | 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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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
(Rattus norvegicus) | BDBM50605407
(CHEMBL5205292)Show SMILES OB(O)c1ccc(COc2ccc(\C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM50605399
(CHEMBL5198478)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)NCCCOc1ccc(cc1)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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| n/a | n/a | 70 | n/a | n/a | 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
(Rattus norvegicus) | BDBM50605400
(CHEMBL5202425)Show SMILES [Na;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]-[#6]-[#6]-[#6]-[#8]-c1ccc(cc1)[B-](F)(F)F |r| | PDB
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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
(Rattus norvegicus) | 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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TBA
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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
(Rattus norvegicus) | BDBM50605402
(CHEMBL5185387)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)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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| n/a | n/a | 80 | n/a | n/a | 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
(Rattus norvegicus) | 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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TBA
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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
(Rattus norvegicus) | 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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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM50605398
(CHEMBL5175407)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)NCCCOc1cccc(c1)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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TBA
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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
(Rattus norvegicus) | BDBM50605404
(CHEMBL5201145)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)N1CC[C@@H](C1)Oc1ccc(cc1)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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TBA
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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
(Rattus norvegicus) | BDBM50605403
(CHEMBL5182158)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)N1CC[C@H](C1)Oc1ccc(cc1)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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| n/a | n/a | 210 | n/a | n/a | 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
(Rattus norvegicus) | BDBM50605394
(CHEMBL5187829)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)NCCCOc1ccc(cc1)S(N)(=O)=O |r| | PDB
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TBA
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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
(Rattus norvegicus) | BDBM50605396
(CHEMBL5177229)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)NCCOc1ccc(cc1)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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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
(Rattus norvegicus) | 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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| n/a | n/a | 2.80E+3 | n/a | n/a | 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 |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM50605393
(CHEMBL5187548)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)=O |r| | PDB
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| n/a | n/a | 9.00E+3 | n/a | n/a | 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
(Rattus norvegicus) | BDBM50605395
(CHEMBL5183461)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)NCCCCOc1ccc(cc1)S(N)(=O)=O |r| | PDB
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TBA
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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
(Rattus norvegicus) | BDBM50605392
(CHEMBL5178081)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)NCCOc1ccc(cc1)S(N)(=O)=O |r| | PDB
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TBA
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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
(Rattus norvegicus) | BDBM50605397
(CHEMBL5187146)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)NCCOc1cccc(c1)B1OC(C)(C)C(C)(C)O1 |r| | PDB
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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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TBA
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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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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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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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UniChem
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TBA
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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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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00368
BindingDB Entry DOI: 10.7270/Q25H7MCC |
More data for this
Ligand-Target Pair | |
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