Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50018256 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 |
|---|
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408828
(CHEMBL5270588)Show SMILES CN1CC(COC(=O)C2CCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:12| Show InChI InChI=1S/C21H24N2O2/c1-23-11-13(12-25-21(24)14-4-2-5-14)8-17-16-6-3-7-18-20(16)15(10-22-18)9-19(17)23/h3,6-8,10,14,17,19,22H,2,4-5,9,11-12H2,1H3/t17-,19-/m1/s1 | PDB
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| | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408825
(CHEMBL5280147)Show SMILES CN1CC(COC(=O)C2CCCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:14| Show InChI InChI=1S/C23H28N2O2/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25/h5,8-10,12,16,19,21,24H,2-4,6-7,11,13-14H2,1H3/t19-,21-/m1/s1 | PDB
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| | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408825
(CHEMBL5280147)Show SMILES CN1CC(COC(=O)C2CCCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:14| Show InChI InChI=1S/C23H28N2O2/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25/h5,8-10,12,16,19,21,24H,2-4,6-7,11,13-14H2,1H3/t19-,21-/m1/s1 | PDB
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| | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408825
(CHEMBL5280147)Show SMILES CN1CC(COC(=O)C2CCCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:14| Show InChI InChI=1S/C23H28N2O2/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25/h5,8-10,12,16,19,21,24H,2-4,6-7,11,13-14H2,1H3/t19-,21-/m1/s1 | PDB
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| | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408825
(CHEMBL5280147)Show SMILES CN1CC(COC(=O)C2CCCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:14| Show InChI InChI=1S/C23H28N2O2/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25/h5,8-10,12,16,19,21,24H,2-4,6-7,11,13-14H2,1H3/t19-,21-/m1/s1 | PDB
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| | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408829
(CHEMBL5278293)Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](CO)C=C3c3cccc1c23 |c:14| Show InChI InChI=1S/C19H24N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-7,10,12-13,18,22H,8-9,11H2,1-3H3/t13-,18-/m1/s1 | PDB
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| | n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50446146
(CHEMBL3108909)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39) | PDB
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| | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50605550
(C-188-9 | Stat3 inhibitor c188-9 | Stat3 inhibitor...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(c(O)c2ccccc12)-c1c(O)ccc2ccccc12 |(21.15,-12.6,;21.15,-11.06,;22.49,-10.29,;23.82,-11.06,;25.16,-10.29,;25.16,-8.75,;23.82,-7.98,;22.49,-8.75,;26.49,-7.98,;25.72,-6.65,;27.26,-9.31,;27.82,-7.21,;29.16,-7.98,;30.49,-7.21,;31.82,-7.98,;31.82,-9.52,;33.16,-10.29,;30.49,-10.29,;30.49,-11.83,;29.15,-12.6,;27.82,-11.83,;27.82,-10.29,;29.16,-9.52,;33.16,-7.21,;34.49,-7.98,;34.49,-9.52,;35.83,-7.22,;35.83,-5.68,;34.49,-4.9,;34.49,-3.36,;33.16,-2.59,;31.83,-3.36,;31.83,-4.9,;33.16,-5.67,)| | PDB
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| | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50446145
(CHEMBL3108910)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39) | PDB
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| | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408835
(CHEMBL5267904)Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CC4)C=C3c3cccc1c23 |c:20| Show InChI InChI=1S/C23H28N2O2/c1-14(2)25-12-17-10-21-19(18-5-4-6-20(25)22(17)18)9-15(11-24(21)3)13-27-23(26)16-7-8-16/h4-6,9,12,14-16,21H,7-8,10-11,13H2,1-3H3/t15-,21-/m1/s1 | PDB
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| | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at histamine H3 receptor in electrically-stimulated guinea pig ileum |
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More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408832
(CHEMBL4168135)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CCCC4)CN3C)c3cccc1c23 Show InChI InChI=1S/C25H34N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-10,14,16-18,21,23H,4-5,7-8,11-13,15H2,1-3H3/t17-,21-,23-/m1/s1 | PDB
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| | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 5A
(Homo sapiens (Human)) | BDBM50408834
(CHEMBL5271424)Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)OCC1=C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |wU:14.14,5.8,wD:15.29,2.1,t:13,(23.49,-4.75,;21.85,-4.19,;19.9,-5.32,;18.56,-4.52,;17.21,-5.27,;17.18,-6.81,;18.51,-7.61,;19.87,-6.88,;15.84,-7.57,;15.82,-9.11,;14.51,-6.76,;13.15,-7.51,;13.14,-9.08,;11.79,-9.83,;11.77,-11.37,;13.11,-12.16,;13.11,-13.7,;11.77,-14.45,;11.76,-15.99,;9.11,-15.96,;9.12,-14.42,;7.8,-13.67,;7.8,-12.13,;9.12,-11.37,;10.45,-12.13,;10.45,-13.67,;14.46,-11.4,;15.79,-12.19,;14.48,-9.86,)| Show InChI InChI=1S/C24H30N2O3/c1-26-13-15(14-29-24(27)16-6-8-18(28-2)9-7-16)10-20-19-4-3-5-21-23(19)17(12-25-21)11-22(20)26/h3-5,10,12,16,18,20,22,25H,6-9,11,13-14H2,1-2H3/t16-,18-,20-,22-/m1/s1 | PDB
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| | n/a | n/a | 5.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408834
(CHEMBL5271424)Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)OCC1=C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |wU:14.14,5.8,wD:15.29,2.1,t:13,(23.49,-4.75,;21.85,-4.19,;19.9,-5.32,;18.56,-4.52,;17.21,-5.27,;17.18,-6.81,;18.51,-7.61,;19.87,-6.88,;15.84,-7.57,;15.82,-9.11,;14.51,-6.76,;13.15,-7.51,;13.14,-9.08,;11.79,-9.83,;11.77,-11.37,;13.11,-12.16,;13.11,-13.7,;11.77,-14.45,;11.76,-15.99,;9.11,-15.96,;9.12,-14.42,;7.8,-13.67,;7.8,-12.13,;9.12,-11.37,;10.45,-12.13,;10.45,-13.67,;14.46,-11.4,;15.79,-12.19,;14.48,-9.86,)| Show InChI InChI=1S/C24H30N2O3/c1-26-13-15(14-29-24(27)16-6-8-18(28-2)9-7-16)10-20-19-4-3-5-21-23(19)17(12-25-21)11-22(20)26/h3-5,10,12,16,18,20,22,25H,6-9,11,13-14H2,1-2H3/t16-,18-,20-,22-/m1/s1 | PDB
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| | n/a | n/a | 1.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408833
(CHEMBL5277569)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(CO)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C19H24N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-7,10,12,16,18,22H,8-9,11H2,1-3H3/t16-,18-/m1/s1 | PDB
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| | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408827
(CHEMBL5282950)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1 | PDB
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| | n/a | n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408831
(CHEMBL5271534)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CCC4)CN3C)c3cccc1c23 Show InChI InChI=1S/C24H32N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-9,13,15-17,20,22H,4,6-7,10-12,14H2,1-3H3/t16-,20-,22-/m1/s1 | PDB
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| | n/a | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50353432
(CHEMBL1829876 | US10196373, Compound 45O)Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40) | PDB
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| | n/a | n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408830
(CHEMBL5284089)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15,17,20,22H,4,6-7,11-12,14H2,1-3H3/t20-,22-/m1/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
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More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408826
(CHEMBL5268863)Show SMILES CN1CC(COC(=O)C2CCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:13| Show InChI InChI=1S/C22H26N2O2/c1-24-12-14(13-26-22(25)15-5-2-3-6-15)9-18-17-7-4-8-19-21(17)16(11-23-19)10-20(18)24/h4,7-9,11,15,18,20,23H,2-3,5-6,10,12-13H2,1H3/t18-,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50408830
(CHEMBL5284089)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15,17,20,22H,4,6-7,11-12,14H2,1-3H3/t20-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay at 50 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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