Found 272 hits with Last Name = 'monereau' and Initial = 'l' 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 |
|---|
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566615
(CHEMBL4846895)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)C(C)(C)O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297236
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-methoxy-5-...)Show SMILES COc1cc2c(cc1C(C)(C)O)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-26-28(32-18-22)23-16-27(38-5)24(31(2,3)37)17-25(23)36(26)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| Article
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297070
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566615
(CHEMBL4846895)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566614
(CHEMBL4848871)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297162
(2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566614
(CHEMBL4848871)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297144
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-methoxy-5-...)Show SMILES COc1cc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-25-28(32-18-22)27-24(16-23(31(2,3)37)17-26(27)38-5)36(25)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1 | PDB
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566613
(CHEMBL4864173)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297268
(2-{6-Chloro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(Cl)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566610
(CHEMBL4857742)Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566613
(CHEMBL4864173)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594425
(CHEMBL5189057)Show SMILES COC(C)(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566612
(CHEMBL4869203)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(c(F)cc21)C(C)(C)O |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566610
(CHEMBL4857742)Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297070
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566611
(CHEMBL4875203)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1c(F)c(ccc21)C(C)(C)O |r| | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566610
(CHEMBL4857742)Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297283
(2-[8-Chloro-3-(dimethyl-1H-1,2,3-triazol-5-yl)-5-[...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(Cl)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566612
(CHEMBL4869203)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(c(F)cc21)C(C)(C)O |r| | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297225
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(1,3-dime...)Show SMILES Cc1cc([C@H](C2CCOCC2)n2c3cc(ccc3c3ncc(cc23)-c2c(C)nnn2C)C(C)(C)O)n(C)n1 |r| Show InChI InChI=1S/C29H35N7O2/c1-17-13-25(34(5)32-17)28(19-9-11-38-12-10-19)36-23-15-21(29(3,4)37)7-8-22(23)26-24(36)14-20(16-30-26)27-18(2)31-33-35(27)6/h7-8,13-16,19,28,37H,9-12H2,1-6H3/t28-/m0/s1 | PDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50509050
(CHEMBL4438309)Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566616
(CHEMBL4855116)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(cc(F)c21)C(C)(C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566610
(CHEMBL4857742)Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297312
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C30H29F4N5O2/c1-17-26(38(3)37-36-17)20-15-23-25(35-16-20)21-9-10-22(29(2,40)30(32,33)34)24(31)28(21)39(23)27(18-7-5-4-6-8-18)19-11-13-41-14-12-19/h4-10,15-16,19,27,40H,11-14H2,1-3H3/t27-,29?/m1/s1 | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566611
(CHEMBL4875203)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1c(F)c(ccc21)C(C)(C)O |r| | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50509050
(CHEMBL4438309)Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FR... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594424
(CHEMBL5172933)Show SMILES CC(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| | PDB
KEGG
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| PC cid
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297225
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(1,3-dime...)Show SMILES Cc1cc([C@H](C2CCOCC2)n2c3cc(ccc3c3ncc(cc23)-c2c(C)nnn2C)C(C)(C)O)n(C)n1 |r| Show InChI InChI=1S/C29H35N7O2/c1-17-13-25(34(5)32-17)28(19-9-11-38-12-10-19)36-23-15-21(29(3,4)37)7-8-22(23)26-24(36)14-20(16-30-26)27-18(2)31-33-35(27)6/h7-8,13-16,19,28,37H,9-12H2,1-6H3/t28-/m0/s1 | PDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50509050
(CHEMBL4438309)Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(cc(OC)c2n1C\C=C\Cn1c2c(OCCCN3CCOCC3)cc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50558665
(CHEMBL4776666)Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FR... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50558665
(CHEMBL4776666)Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297244
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cc(F)c21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-25-27(32-17-21)26-23(31)15-22(30(2,3)37)16-24(26)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566609
(CHEMBL4850311)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1cnn[nH]1)c1cc(ccc21)C(C)(C)O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50584871
(CHEMBL5080916)Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50558665
(CHEMBL4776666)Show SMILES [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(O)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566609
(CHEMBL4850311)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1cnn[nH]1)c1cc(ccc21)C(C)(C)O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50584874
(CHEMBL5081567)Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50584870
(CHEMBL5082881)Show SMILES Clc1cc(-c2nn[nH]n2)c2oc(CNC(=O)c3cnn4cccnc34)cc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50584871
(CHEMBL5080916)Show SMILES Clc1cc2cc(CNC(=O)c3cnn4cccnc34)oc2c2c1oc(=O)[nH]c2=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FR... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50584881
(CHEMBL5082361)Show SMILES OC(=O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Human) | BDBM50584874
(CHEMBL5081567)Show SMILES OC(=O)c1c(O)c(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FR... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
Stimulator of interferon genes protein
(Mus musculus) | BDBM50584873
(CHEMBL5082707)Show SMILES OC(=O)c1cc(Cl)cc2cc(CNC(=O)c3cnn4cccnc34)oc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01986
BindingDB Entry DOI: 10.7270/Q29S1VZM |
More data for this
Ligand-Target Pair | |
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