Found 367 hits Enz. Inhib. hit(s) with all data for entry = 8884 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)) | BDBM191570
(US10526329, Compound 12 | US11072611, Compound 12 ...)Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191618
(US10526329, Compound 22 | US11072611, Compound 22 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)NC)CC1 Show InChI InChI=1S/C27H29FN8OS/c1-4-21-26(33(3)27-32-25(22(15-29)38-27)18-5-7-19(28)8-6-18)36-16-20(9-10-23(36)31-21)35-13-11-34(12-14-35)17-24(37)30-2/h5-10,16H,4,11-14,17H2,1-3H3,(H,30,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191784
(US10526329, Compound 30 | US11072611, Compound 30 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC2)CC1 Show InChI InChI=1S/C28H32FN7OS/c1-3-23-27(32(2)28-31-24(19-38-28)20-5-7-21(29)8-6-20)36-17-22(9-10-25(36)30-23)34-15-13-33(14-16-34)18-26(37)35-11-4-12-35/h5-10,17,19H,3-4,11-16,18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191788
(US10526329, Compound 31 | US11072611, Compound 31 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)CC1 Show InChI InChI=1S/C29H34FN7OS/c1-3-24-28(33(2)29-32-25(20-39-29)21-6-8-22(30)9-7-21)37-18-23(10-11-26(37)31-24)35-16-14-34(15-17-35)19-27(38)36-12-4-5-13-36/h6-11,18,20H,3-5,12-17,19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192616
(US10526329, Compound 115 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1 Show InChI InChI=1S/C30H35FN6OS/c1-3-25-29(34(2)30-33-26(20-39-30)22-6-9-24(31)10-7-22)37-18-23(8-11-27(37)32-25)21-12-16-35(17-13-21)19-28(38)36-14-4-5-15-36/h6-11,18,20-21H,3-5,12-17,19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192923
(US10526329, Compound 138 | US11072611, Compound 13...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192943
(US10526329, Compound 139 | US9670204, 138 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-23-28(34(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-15-21(8-9-25(38)32-23)36-12-10-35(11-13-36)18-26(40)37-16-22(39)17-37/h4-9,15,22,39H,3,10-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192944
(US10526329, Compound 140 | US9670204, 139 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(CO)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-3-24-29(35(2)30-34-28(25(14-32)42-30)21-4-6-22(31)7-5-21)39-17-23(8-9-26(39)33-24)37-12-10-36(11-13-37)18-27(41)38-15-20(16-38)19-40/h4-9,17,20,40H,3,10-13,15-16,18-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192945
(US10526329, Compound 141 | US11072611, Compound 14...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-32-26(23(16-30)39-28)19-6-8-20(29)9-7-19)37-17-21(10-11-24(37)31-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,17H,5,12-15,18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM426505
(US10526329, Compound 142 | US11072611, Compound 14...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(16-33)42-31)21-4-7-23(32)8-5-21)39-17-22(6-9-27(39)34-25)20-10-13-37(14-11-20)19-28(41)38-15-12-24(40)18-38/h4-9,17,20,24,40H,3,10-15,18-19H2,1-2H3/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM426506
(US10526329, Compound 143 | US11072611, Compound 14...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(16-33)42-31)21-4-7-23(32)8-5-21)39-17-22(6-9-27(39)34-25)20-10-13-37(14-11-20)19-28(41)38-15-12-24(40)18-38/h4-9,17,20,24,40H,3,10-15,18-19H2,1-2H3/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192949
(US10526329, Compound 144 | US11072611, Compound 14...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(CO)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(14-33)42-31)22-4-7-24(32)8-5-22)39-17-23(6-9-27(39)34-25)21-10-12-37(13-11-21)18-28(41)38-15-20(16-38)19-40/h4-9,17,20-21,40H,3,10-13,15-16,18-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192950
(US10526329, Compound 145 | US11072611, Compound 14...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C29H32FN7OS/c1-5-23-28(35(4)29-33-27(24(16-31)39-29)20-6-9-22(30)10-7-20)37-17-21(8-11-25(37)32-23)19-12-14-36(15-13-19)18-26(38)34(2)3/h6-11,17,19H,5,12-15,18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192979
(US10526329, Compound 159 | US11072611, Compound 15...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(=O)C(F)(F)F)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H32F4N6O3S/c1-3-23-29(38(2)30-37-26(19-4-7-21(32)8-5-19)27(45-30)28(44)31(33,34)35)41-14-20(6-9-24(41)36-23)18-10-12-39(13-11-18)17-25(43)40-15-22(42)16-40/h4-9,14,18,22,42H,3,10-13,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192984
(US10526329, Compound 164 | US11072611, Compound 16...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(F)C2)CC1 Show InChI InChI=1S/C29H30F2N8OS/c1-3-24-28(35(2)29-34-25(18-41-29)23-6-4-20(30)12-19(23)13-32)39-16-22(5-7-26(39)33-24)37-10-8-36(9-11-37)17-27(40)38-14-21(31)15-38/h4-7,12,16,18,21H,3,8-11,14-15,17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192986
(US10526329, Compound 166 | US11072611, Compound 16...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-24-28(34(2)29-33-25(18-41-29)23-6-4-20(30)12-19(23)13-31)38-14-21(5-7-26(38)32-24)36-10-8-35(9-11-36)17-27(40)37-15-22(39)16-37/h4-7,12,14,18,22,39H,3,8-11,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192987
(US10526329, Compound 167 | US11072611, Compound 16...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CCC2)CC1 Show InChI InChI=1S/C29H31FN8OS/c1-3-24-28(34(2)29-33-25(19-40-29)23-7-5-21(30)15-20(23)16-31)38-17-22(6-8-26(38)32-24)36-13-11-35(12-14-36)18-27(39)37-9-4-10-37/h5-8,15,17,19H,3-4,9-14,18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192988
(US10526329, Compound 168 | US11072611, Compound 16...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H31FN8OS/c1-5-23-27(34(4)28-32-24(18-39-28)22-8-6-20(29)14-19(22)15-30)37-16-21(7-9-25(37)31-23)36-12-10-35(11-13-36)17-26(38)33(2)3/h6-9,14,16,18H,5,10-13,17H2,1-4H3 | PDB
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GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192989
(US10526329, Compound 169 | US11072611, Compound 16...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)NC)CC1 Show InChI InChI=1S/C27H29FN8OS/c1-4-22-26(33(3)27-32-23(17-38-27)21-7-5-19(28)13-18(21)14-29)36-15-20(6-8-24(36)31-22)35-11-9-34(10-12-35)16-25(37)30-2/h5-8,13,15,17H,4,9-12,16H2,1-3H3,(H,30,37) | PDB
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GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192990
(US10526329, Compound 170 | US11072611, Compound 17...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-25-29(35(2)30-34-26(18-41-30)24-6-5-22(31)12-21(24)13-32)38-14-20(4-7-27(38)33-25)19-8-10-36(11-9-19)17-28(40)37-15-23(39)16-37/h4-7,12,14,18-19,23,39H,3,8-11,15-17H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192991
(US10526329, Compound 171 | US11072611, Compound 17...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C29H32FN7OS/c1-5-24-28(35(4)29-33-25(18-39-29)23-8-7-22(30)14-21(23)15-31)37-16-20(6-9-26(37)32-24)19-10-12-36(13-11-19)17-27(38)34(2)3/h6-9,14,16,18-19H,5,10-13,17H2,1-4H3 | PDB
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GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192993
(US10526329, Compound 173 | US11072611, Compound 17...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-24-28(35(2)29-33-27(34-41-29)23-6-5-21(30)12-20(23)13-31)38-14-19(4-7-25(38)32-24)18-8-10-36(11-9-18)17-26(40)37-15-22(39)16-37/h4-7,12,14,18,22,39H,3,8-11,15-17H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192994
(US10526329, Compound 174 | US11072611, Compound 17...)Show SMILES CN(C)C(=O)CN1CCC(CC1)c1ccc2nc(CCC#N)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C29H32FN7OS/c1-34(2)27(38)18-36-15-12-20(13-16-36)22-8-11-26-32-24(5-4-14-31)28(37(26)17-22)35(3)29-33-25(19-39-29)21-6-9-23(30)10-7-21/h6-11,17,19-20H,4-5,12-13,15-16,18H2,1-3H3 | PDB
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GALAPAGOS NV
US Patent
| Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil... |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
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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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191376
(US10526329, Compound 4 | US11072611, Compound 4 | ...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/s1 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191384
(US10526329, Compound 5 | US11072611, Compound 5 | ...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m0/s1 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191570
(US10526329, Compound 12 | US11072611, Compound 12 ...)Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191618
(US10526329, Compound 22 | US11072611, Compound 22 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)NC)CC1 Show InChI InChI=1S/C27H29FN8OS/c1-4-21-26(33(3)27-32-25(22(15-29)38-27)18-5-7-19(28)8-6-18)36-16-20(9-10-23(36)31-21)35-13-11-34(12-14-35)17-24(37)30-2/h5-10,16H,4,11-14,17H2,1-3H3,(H,30,37) | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191627
(US10526329, Compound 23 | US11072611, Compound 23 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C28H33FN6O2S/c1-6-22-25(32(5)26-31-23(18-38-26)19-7-9-20(29)10-8-19)35-17-21(11-12-24(35)30-22)33-13-15-34(16-14-33)27(36)37-28(2,3)4/h7-12,17-18H,6,13-16H2,1-5H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191765
(US10526329, Compound 24 | US11072611, Compound 24 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C28H32FN7O2S/c1-3-23-27(32(2)28-31-24(18-39-28)19-4-6-20(29)7-5-19)36-14-21(8-9-25(36)30-23)34-12-10-33(11-13-34)17-26(38)35-15-22(37)16-35/h4-9,14,18,22,37H,3,10-13,15-17H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191777
(US10526329, Compound 25 | US9670204, 25 (S)-2-(4-(...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1 |r| Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(19-40-29)20-4-6-21(30)7-5-20)37-16-22(8-9-26(37)31-24)35-14-12-34(13-15-35)18-27(39)36-11-10-23(38)17-36/h4-9,16,19,23,38H,3,10-15,17-18H2,1-2H3/t23-/m0/s1 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191781
(US10526329, Compound 27 | US11072611, Compound 27 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1 Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41) | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191792
(US10526329, Compound 35 | US11072611, Compound 35 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H32FN7OS/c1-5-22-26(32(4)27-30-23(18-37-27)19-6-8-20(28)9-7-19)35-16-21(10-11-24(35)29-22)34-14-12-33(13-15-34)17-25(36)31(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191794
(US10526329, Compound 36 | US11072611, Compound 36 ...)Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191796
(US10526329, Compound 38 | US11072611, Compound 38 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC#N)CC1 Show InChI InChI=1S/C25H26FN7S/c1-3-21-24(30(2)25-29-22(17-34-25)18-4-6-19(26)7-5-18)33-16-20(8-9-23(33)28-21)32-14-12-31(11-10-27)13-15-32/h4-9,16-17H,3,11-15H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191797
(US10526329, Compound 39 | US11072611, Compound 39 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2nnnn2C2CC2)CC1 Show InChI InChI=1S/C28H31FN10S/c1-3-23-27(35(2)28-31-24(18-40-28)19-4-6-20(29)7-5-19)38-16-22(10-11-25(38)30-23)37-14-12-36(13-15-37)17-26-32-33-34-39(26)21-8-9-21/h4-7,10-11,16,18,21H,3,8-9,12-15,17H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191806
(US10526329, Compound 40 | US11072611, Compound 40 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncco2)CC1 Show InChI InChI=1S/C27H28FN7OS/c1-3-22-26(32(2)27-31-23(18-37-27)19-4-6-20(28)7-5-19)35-16-21(8-9-24(35)30-22)34-13-11-33(12-14-34)17-25-29-10-15-36-25/h4-10,15-16,18H,3,11-14,17H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191807
(US10526329, Compound 41 | US11072611, Compound 41 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncon2)CC1 Show InChI InChI=1S/C26H27FN8OS/c1-3-21-25(32(2)26-30-22(16-37-26)18-4-6-19(27)7-5-18)35-14-20(8-9-24(35)29-21)34-12-10-33(11-13-34)15-23-28-17-36-31-23/h4-9,14,16-17H,3,10-13,15H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191808
(US10526329, Compound 42 | US11072611, Compound 42 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C25H27FN6O2S/c1-3-20-24(29(2)25-28-21(16-35-25)17-4-6-18(26)7-5-17)32-14-19(8-9-22(32)27-20)31-12-10-30(11-13-31)15-23(33)34/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,33,34) | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191811
(US10526329, Compound 43 | US11072611, Compound 43 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)OCCO Show InChI InChI=1S/C26H29FN6O3S/c1-3-21-24(30(2)25-29-22(17-37-25)18-4-6-19(27)7-5-18)33-16-20(8-9-23(33)28-21)31-10-12-32(13-11-31)26(35)36-15-14-34/h4-9,16-17,34H,3,10-15H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191814
(US10526329, Compound 46 | US11072611, Compound 46 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C1CCCN1 Show InChI InChI=1S/C28H32FN7OS/c1-3-22-26(33(2)28-32-24(18-38-28)19-6-8-20(29)9-7-19)36-17-21(10-11-25(36)31-22)34-13-15-35(16-14-34)27(37)23-5-4-12-30-23/h6-11,17-18,23,30H,3-5,12-16H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191815
(US10526329, Compound 47 | US11072611, Compound 47 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C1CCNC1 Show InChI InChI=1S/C28H32FN7OS/c1-3-23-26(33(2)28-32-24(18-38-28)19-4-6-21(29)7-5-19)36-17-22(8-9-25(36)31-23)34-12-14-35(15-13-34)27(37)20-10-11-30-16-20/h4-9,17-18,20,30H,3,10-16H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191819
(US10526329, Compound 49 | US11072611, Compound 49 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C1CCN(C1)S(C)(=O)=O Show InChI InChI=1S/C29H34FN7O3S2/c1-4-24-27(33(2)29-32-25(19-41-29)20-5-7-22(30)8-6-20)37-18-23(9-10-26(37)31-24)34-13-15-35(16-14-34)28(38)21-11-12-36(17-21)42(3,39)40/h5-10,18-19,21H,4,11-17H2,1-3H3 | PDB
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US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191820
(US10526329, Compound 50 | US11072611, Compound 50 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)CO Show InChI InChI=1S/C25H27FN6O2S/c1-3-20-24(29(2)25-28-21(16-35-25)17-4-6-18(26)7-5-17)32-14-19(8-9-22(32)27-20)30-10-12-31(13-11-30)23(34)15-33/h4-9,14,16,33H,3,10-13,15H2,1-2H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191824
(US10526329, Compound 51 | US11072611, Compound 51 ...)Show SMILES CCC(=O)N1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C26H29FN6OS/c1-4-21-25(30(3)26-29-22(17-35-26)18-6-8-19(27)9-7-18)33-16-20(10-11-23(33)28-21)31-12-14-32(15-13-31)24(34)5-2/h6-11,16-17H,4-5,12-15H2,1-3H3 | PDB
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GALAPAGOS NV
US Patent
| |
US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191829
(US10526329, Compound 52 | US11072611, Compound 52 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)CCCO Show InChI InChI=1S/C27H31FN6O2S/c1-3-22-26(31(2)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-17-21(10-11-24(34)29-22)32-12-14-33(15-13-32)25(36)5-4-16-35/h6-11,17-18,35H,3-5,12-16H2,1-2H3 | PDB
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US Patent
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US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191830
(US10526329, Compound 53 | US11072611, Compound 53 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)CCCN(C)C Show InChI InChI=1S/C29H36FN7OS/c1-5-24-28(34(4)29-32-25(20-39-29)21-8-10-22(30)11-9-21)37-19-23(12-13-26(37)31-24)35-15-17-36(18-16-35)27(38)7-6-14-33(2)3/h8-13,19-20H,5-7,14-18H2,1-4H3 | PDB
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US Patent
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US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191831
(US10526329, Compound 54 | US11072611, Compound 54 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C24H27FN6O2S2/c1-4-20-23(28(2)24-27-21(16-34-24)17-5-7-18(25)8-6-17)31-15-19(9-10-22(31)26-20)29-11-13-30(14-12-29)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3 | PDB
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US Patent
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US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191833
(US10526329, Compound 55 | US11072611, Compound 55 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)CCCCl Show InChI InChI=1S/C26H30ClFN6O2S2/c1-3-22-25(31(2)26-30-23(18-37-26)19-5-7-20(28)8-6-19)34-17-21(9-10-24(34)29-22)32-12-14-33(15-13-32)38(35,36)16-4-11-27/h5-10,17-18H,3-4,11-16H2,1-2H3 | PDB
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US Patent
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US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191835
(US10526329, Compound 56 | US11072611, Compound 56 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)CCCN(C)C Show InChI InChI=1S/C28H36FN7O2S2/c1-5-24-27(33(4)28-31-25(20-39-28)21-7-9-22(29)10-8-21)36-19-23(11-12-26(36)30-24)34-14-16-35(17-15-34)40(37,38)18-6-13-32(2)3/h7-12,19-20H,5-6,13-18H2,1-4H3 | PDB
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US Patent US10526329 (2020)
BindingDB Entry DOI: 10.7270/Q2Z60RGR |
More data for this
Ligand-Target Pair | |
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