| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060101
BDB060101
|
BDBM50546183
Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1
|
C16H20F2N8O2 394.386000 |
VZVYLEDIUUZTCW-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50546183
|
Local ready
Direct docking supported
|
|
E3L060102
BDB060102
|
BDBM50546184
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1
|
C17H22F2N8O2 408.413000 |
BSJSHEXWIGDLOO-SNVBAGLBSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50546184; PubChem:CID146346677
|
Local ready
Direct docking supported
|
|
E3L060103
BDB060103
|
BDBM50546185
Nc1ncc(-c2nc(N3CCOCC3)nc(N3[C@@H]4CC[C@H]3COC4)n2)c(C(F)F)n1
|
C18H22F2N8O2 420.424000 |
YMPHJTSPBGJDAR-PHIMTYICSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50546185; PubChem:CID162651382
|
Local ready
Direct docking supported
|
|
E3L060104
BDB060104
|
BDBM50546186
Nc1ncc(-c2nc(N3CCOCC3)nc(N3C[C@H]4CC[C@@H](C3)O4)n2)c(C(F)F)n1
|
C18H22F2N8O2 420.424000 |
LQGAWYMZNALSQI-PHIMTYICSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50546186; PubChem:CID162654812
|
Local ready
Direct docking supported
|
|
E3L060105
BDB060105
|
BDBM50546197
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(C(=O)N(C)C)CC4)ncc3Cl)cc(OC)c2n(C)c1=O
|
C26H32ClN7O5 558.039000 |
XCGYXEVLQIIEJH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50546197; PubChem:CID134691741
|
Local ready
Direct docking supported
|
|
E3L060106
BDB060106
|
BDBM50546198
CNC(=O)COc1cc2cc(Nc3nc(N4C[C@H](C)C[C@H](C)C4)ncc3Cl)cc(OC)c2n(C)c1=O
|
C25H31ClN6O4 515.014000 |
AIVBFLKFTLQDJX-GASCZTMLSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50546198; PubChem:CID135137589
|
Local ready
Direct docking supported
|
|
E3L060107
BDB060107
|
BDBM50546199
Cc1cc(C)n(-c2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)n1
|
C15H13Cl2N5 334.210000 |
ASQXYGAONBBSHT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50546199; PubChem:CID11853273
|
Local ready
Direct docking supported
|
|
E3L060108
BDB060108
|
BDBM50546858
Cc1ccccc1-c1ccc(/N=N\c2ccc(CC3SC(=O)NC3=O)cc2)cc1
|
C23H19N3O2S 401.491000 |
OHQAGSOPRWRIQH-QPLCGJKRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546858
|
Local ready
Direct docking supported
|
|
E3L060109
BDB060109
|
BDBM50546859
O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N/c2ccccc2)cc1)C(=O)O
|
C28H23N3O3 449.510000 |
IRHLQGNGQCQOJO-SLFBTFMYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546859
|
Local ready
Direct docking supported
|
|
E3L060110
BDB060110
|
BDBM50546860
O=C1NC(=O)C(Cc2ccc(/N=N/c3ccccc3)cc2)S1
|
C16H13N3O2S 311.366000 |
BPUOMPSSHWYLDN-VHEBQXMUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546860
|
Local ready
Direct docking supported
|
|
E3L060111
BDB060111
|
BDBM50546861
O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N/c2ccc(Cl)cc2)cc1)C(=O)O
|
C28H22ClN3O3 483.955000 |
NAQQZPQMAFYASR-SADOOTFCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546861
|
Local ready
Direct docking supported
|
|
E3L060112
BDB060112
|
BDBM50546862
O=C1NC(=O)C(Cc2ccc(/N=N/c3ccc(Cl)cc3)cc2)S1
|
C16H12ClN3O2S 345.811000 |
PFWSOEMDHXPDQV-FMQUCBEESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546862
|
Local ready
Direct docking supported
|
|
E3L060113
BDB060113
|
BDBM50546863
O=C1NC(=O)C(Cc2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)S1
|
C17H12F3N3O2S 379.363000 |
VFLGCPLWJDMTRY-GHVJWSGMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546863
|
Local ready
Direct docking supported
|
|
E3L060114
BDB060114
|
BDBM50546864
Cc1ccccc1-c1ccc(/N=N/c2ccc(CC3SC(=O)NC3=O)cc2)cc1
|
C23H19N3O2S 401.491000 |
OHQAGSOPRWRIQH-OCEACIFDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546864
|
Local ready
Direct docking supported
|
|
E3L060115
BDB060115
|
BDBM50546865
O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N\c2ccccc2)cc1)C(=O)O
|
C28H23N3O3 449.510000 |
IRHLQGNGQCQOJO-XTUDTMOTSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546865
|
Local ready
Direct docking supported
|
|
E3L060116
BDB060116
|
BDBM50546866
O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(/N=N\c2ccc(Cl)cc2)cc1)C(=O)O
|
C28H22ClN3O3 483.955000 |
NAQQZPQMAFYASR-WAPUXUJFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546866
|
Local ready
Direct docking supported
|
|
E3L060117
BDB060117
|
BDBM50546867
O=C1NC(=O)C(Cc2ccc(/N=N\c3ccccc3)cc2)S1
|
C16H13N3O2S 311.366000 |
BPUOMPSSHWYLDN-HNENSFHCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546867
|
Local ready
Direct docking supported
|
|
E3L060118
BDB060118
|
BDBM50546868
O=C1NC(=O)C(Cc2ccc(/N=N\c3ccc(Cl)cc3)cc2)S1
|
C16H12ClN3O2S 345.811000 |
PFWSOEMDHXPDQV-VXPUYCOJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546868
|
Local ready
Direct docking supported
|
|
E3L060119
BDB060119
|
BDBM50546869
O=C1NC(=O)C(Cc2ccc(/N=N\c3ccc(C(F)(F)F)cc3)cc2)S1
|
C17H12F3N3O2S 379.363000 |
VFLGCPLWJDMTRY-FCQUAONHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50546869
|
Local ready
Direct docking supported
|
|
E3L060120
BDB060120
|
BDBM50547028
COc1cccc(Nc2ccc(C)c(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c2)c1
|
C25H28N2O5S 468.575000 |
WGNGKZXCGGGWNH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547028; PubChem:CID162663730
|
Local ready
Direct docking supported
|