| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030541
BDB030541
|
US20230271937, Example A7-54
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C25H29F7N6O3 594.532000 |
JYWIABYTODZNJT-MAUKXSAKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614895; PubChem:CID156511672
|
Local ready
Direct docking supported
|
|
E3L030542
BDB030542
|
US20230271937, Example A7-55
CC(C)(C(N)=O)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C25H32F4N6O2 524.563000 |
OFFABRMHSRUIPU-QFBILLFUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614898; PubChem:CID156511730
|
Local ready
Direct docking supported
|
|
E3L030543
BDB030543
|
US20230271937, Example A7-56
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3cccc(OC(F)(F)F)c3)C3CC3)c2F)[C@H](O)C1
|
C23H28F4N6O3 512.508000 |
DVXGFYRXQVLCIC-MAUKXSAKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614899; PubChem:CID156511660
|
Local ready
Direct docking supported
|
|
E3L030544
BDB030544
|
US20230271937, Example A7-57
CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(C)(C)C(N)=O)C[C@H]2O)c1F
|
C24H32F4N6O2 512.552000 |
PQRWVUIEJYNURD-FUHWJXTLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614900; PubChem:CID156511773
|
Local ready
Direct docking supported
|
|
E3L030545
BDB030545
|
US20230271937, Example A7-58
COc1cc(CN(c2ncnc(NC[C@@H]3CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)ccc1C(F)(F)F
|
C24H30F4N6O3 526.535000 |
YMLAQOHELQBNFI-MAUKXSAKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614901; PubChem:CID156511659
|
Local ready
Direct docking supported
|
|
E3L030546
BDB030546
|
US20230271937, Example A7-59
CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(C#N)C(N)=O)C[C@H]2O)c1F
|
C23H27F4N7O2 509.508000 |
ZRLCCYONVYXFGE-DKKDMOBXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614902; PubChem:CID156511661
|
Local ready
Direct docking supported
|
|
E3L030547
BDB030547
|
US20230271937, Example A7-60
CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F
|
C21H26F4N6O2 470.471000 |
CUKHITAHZSZAMN-GOEBONIOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614903; PubChem:CID168678322
|
Local ready
Direct docking supported
|
|
E3L030548
BDB030548
|
US20230271937, Example A7-61
COc1cc(C(F)(F)F)ccc1CN(c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F)C1CC1
|
C24H30F4N6O3 526.535000 |
HXMAEPFEIZUTAE-KBXCAEBGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614904; PubChem:CID156511669
|
Local ready
Direct docking supported
|
|
E3L030549
BDB030549
|
US20230271937, Example A7-62
CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(C(N)=O)c3ccncc3)C[C@H]2O)c1F
|
C27H31F4N7O2 561.584000 |
RUDKVQUQAGXKJG-ZPVUCFGCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614905; PubChem:CID156511751
|
Local ready
Direct docking supported
|
|
E3L030550
BDB030550
|
US20230271937, Example A7-63
NC(=O)C(c1ccncc1)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C28H31F4N7O2 573.595000 |
LXRYXSQTBXENNJ-VBLFYTBKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614906; PubChem:CID156511731
|
Local ready
Direct docking supported
|
|
E3L030551
BDB030551
|
US20230271937, Example A7-64
NC(=O)C(CO)N1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1
|
C24H30F4N6O2 510.536000 |
OFBRAGOWCRYCMT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614907; PubChem:CID156497057
|
Local ready
Direct docking supported
|
|
E3L030552
BDB030552
|
US20230271937, Example A7-65
NC(=O)C(CO)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C24H30F4N6O3 526.535000 |
ATYBZAGGWIHUIR-JMRRQPBMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614908; PubChem:CID156511633
|
Local ready
Direct docking supported
|
|
E3L030553
BDB030553
|
US20230271937, Example A7-66-1
CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN([C@H](CO)C(N)=O)C[C@H]2O)c1F
|
C23H30F4N6O3 514.524000 |
NZLQWCRSWOSDDP-CGTJXYLNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614909; PubChem:CID156497039
|
Local ready
Direct docking supported
|
|
E3L030554
BDB030554
|
US20230271937, Example A7-66-2
CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN([C@@H](CO)C(N)=O)C[C@H]2O)c1F
|
C23H30F4N6O3 514.524000 |
NZLQWCRSWOSDDP-RYQLBKOJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614910; PubChem:CID168678323
|
Local ready
Direct docking supported
|
|
E3L030555
BDB030555
|
US20230271937, Example A7-67
CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@@H]2CCN(C(CCO)C(N)=O)C[C@H]2O)c1F
|
C24H32F4N6O3 528.551000 |
TVVBJEGXXPHRGS-DDPXNHEPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614911; PubChem:CID156511673
|
Local ready
Direct docking supported
|
|
E3L030556
BDB030556
|
US20230271937, Example A7-68
NC(=O)C(CO)N1CCC(O)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1
|
C24H30F4N6O3 526.535000 |
ULPCPLGAIUUBOA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614912; PubChem:CID156497010
|
Local ready
Direct docking supported
|
|
E3L030557
BDB030557
|
US20230271937, Example A7-69
NC(=O)CN1CC[C@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1
|
C23H28F4N6O2 496.509000 |
ZJABFXPOYIJVMY-QAPCUYQASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614913; PubChem:CID156496922
|
Local ready
Direct docking supported
|
|
E3L030558
BDB030558
|
US20230271937, Example A7-70
NC(=O)C(CO)N1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1
|
C25H32F4N6O3 540.562000 |
FRLMHZHLTSQRIY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614914; PubChem:CID156497107
|
Local ready
Direct docking supported
|
|
E3L030559
BDB030559
|
US20230271937, Example A7-71
NC(=O)C(C1CCOCC1)N1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C28H36F4N6O3 580.627000 |
UMUYCNSCJFYBAH-VBLFYTBKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614915; PubChem:CID156511678
|
Local ready
Direct docking supported
|
|
E3L030560
BDB030560
|
US20230271937, Example A7-72
CCN(Cc1ccc(-c2cnn(C)c2)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F
|
C25H33FN8O2 496.591000 |
GQDBCCQOQVTIGZ-PZJWPPBQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614916; PubChem:CID156511674
|
Local ready
Direct docking supported
|