| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030561
BDB030561
|
US20230271937, Example A7-73
CCN(Cc1ccc(-c2cnn(CCO)c2)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F
|
C26H35FN8O3 526.617000 |
IYJZKSZWSBBKPV-RBBKRZOGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614917; PubChem:CID156511786
|
Local ready
Direct docking supported
|
|
E3L030562
BDB030562
|
US20230271937, Example A7-74
Cn1cc(-c2ccc(CN(c3ncnc(NC[C@@H]4CCN(CC(N)=O)C[C@H]4O)c3F)C3CC3)cc2)cn1
|
C26H33FN8O2 508.602000 |
IDFJEHBJYWEELI-SIKLNZKXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614918; PubChem:CID156511745
|
Local ready
Direct docking supported
|
|
E3L030563
BDB030563
|
US20230271937, Example A7-75
Cn1cc(-c2ccc(CN(c3ncnc(NC[C@@H]4CCN(CC(N)=O)C[C@H]4O)c3F)C3CC3)c(F)c2)cn1
|
C26H32F2N8O2 526.592000 |
WZLUAFRPBUIZKM-HTAPYJJXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614919; PubChem:CID156511683
|
Local ready
Direct docking supported
|
|
E3L030564
BDB030564
|
US20230271937, Example A7-76
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3F)C3CC3)c2F)[C@H](O)C1
|
C25H30F2N8O2 512.565000 |
KEDYJTWBLVLRDQ-HRAATJIYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614920; PubChem:CID156511753
|
Local ready
Direct docking supported
|
|
E3L030565
BDB030565
|
US20230271937, Example A7-77
CCN(Cc1ccc(-n2cccn2)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F
|
C24H31FN8O2 482.564000 |
ILNCDZMIBKOWFT-AZUAARDMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614921; PubChem:CID156511755
|
Local ready
Direct docking supported
|
|
E3L030566
BDB030566
|
US20230271937, Example A7-78
CCN(Cc1ccc(C#N)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F
|
C22H28FN7O2 441.511000 |
JZUABRDKCYYJAU-ZWKOTPCHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614922; PubChem:CID156511734
|
Local ready
Direct docking supported
|
|
E3L030567
BDB030567
|
US20230271937, Example A7-79
CCN(Cc1ccc(C(F)(F)CO)cc1)c1ncnc(NC[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1F
|
C23H31F3N6O3 496.534000 |
FJHYIZAIVBLJTQ-FUHWJXTLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614923; PubChem:CID156511691
|
Local ready
Direct docking supported
|
|
E3L030568
BDB030568
|
US20230271937, Example A7-80
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C(c2nc[nH]n2)C1
|
C25H29F4N9O 547.561000 |
KRBYICVUNYOKQC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614924; PubChem:CID168678324
|
Local ready
Direct docking supported
|
|
E3L030569
BDB030569
|
US20230271937, Example A7-81
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(c2ncon2)CC1
|
C25H28F4N8O2 548.545000 |
SFIZQRWUDZXZQP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614925; PubChem:CID156496932
|
Local ready
Direct docking supported
|
|
E3L030570
BDB030570
|
US20230271937, Example A7-82
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(c2nnco2)CC1
|
C25H28F4N8O2 548.545000 |
QCPPQZXEZNQRDE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614926; PubChem:CID156497040
|
Local ready
Direct docking supported
|
|
E3L030571
BDB030571
|
US20230271937, Example A7-83
Cn1cnnc1C1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)CC1
|
C26H31F4N9O 561.588000 |
KXYARUHBMMFCAO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614927; PubChem:CID156496996
|
Local ready
Direct docking supported
|
|
E3L030572
BDB030572
|
US20230271937, Example A7-84
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(c2ncc[nH]2)CC1
|
C26H30F4N8O 546.573000 |
FXEBLTRBWQXRQO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614928; PubChem:CID156496912
|
Local ready
Direct docking supported
|
|
E3L030573
BDB030573
|
US20230271937, Example A7-85
NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)(c2cnn[nH]2)CC1
|
C25H29F4N9O 547.561000 |
CAMBARRKZXBIAJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614929; PubChem:CID156496974
|
Local ready
Direct docking supported
|
|
E3L030574
BDB030574
|
US20230271937, Example A7-86
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3)C3CC3)c2F)[C@H](O)C1
|
C25H31FN8O2 494.575000 |
KIWPURCWFCJTBF-GHTZIAJQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614930; PubChem:CID156511739
|
Local ready
Direct docking supported
|
|
E3L030575
BDB030575
|
US20230271937, Example A7-87
NC(=O)CN1CCC(C(CO)Nc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CC1
|
C24H30F4N6O2 510.536000 |
XUWSVPFRHDZUKE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614931; PubChem:CID156496915
|
Local ready
Direct docking supported
|
|
E3L030576
BDB030576
|
US20230271937, Example B4-1-1-1
CC1(O)CN(CC(N)=O)CC[C@H]1CNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F
|
C24H30F4N6O2 510.536000 |
DPTMYRKEOWBSLJ-NVHKAFQKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614932; PubChem:CID156511687
|
Local ready
Direct docking supported
|
|
E3L030577
BDB030577
|
US20230271937, Example B4-1-1-2
CC1(O)CN(CC(N)=O)CC[C@@H]1CNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F
|
C24H30F4N6O2 510.536000 |
DPTMYRKEOWBSLJ-LIXIDFRTSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614933; PubChem:CID168678325
|
Local ready
Direct docking supported
|
|
E3L030578
BDB030578
|
US20230271937, Example B4-2-1-1
CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)C[C@H]1O
|
C24H30F4N6O2 510.536000 |
GIKDUNNJLUOVMA-FKSKYRLFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614936; PubChem:CID168678326
|
Local ready
Direct docking supported
|
|
E3L030579
BDB030579
|
US20230271937, Example B4-2-1-2
CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCN(CC(N)=O)C[C@@H]1O
|
C24H30F4N6O2 510.536000 |
GIKDUNNJLUOVMA-XNUZUHMRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614937; PubChem:CID168678327
|
Local ready
Direct docking supported
|
|
E3L030580
BDB030580
|
US20230271937, Example C4-1-1
NC(=O)CN1CCC(CO)(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C24H30F4N6O3 526.535000 |
CXMOYPLATUCURY-FKSKYRLFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614938; PubChem:CID168678328
|
Local ready
Direct docking supported
|