| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064421
BDB064421
|
BDBM50632191
CN(CCCC#Cc1cccc2c1CN(C1CCC(=O)N(C)C1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cc2cc(C(F)(F)P(=O)(O)O)ccc2s1)C(C)(C)C)c1ccc(-c2nccs2)cc1
|
C53H56F2N7O10PS2 1084.174000 |
RXSHMNKIJYRTDR-FBTAHYLKSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50632191
|
Local ready
Direct docking supported
|
|
E3L064422
BDB064422
|
BDBM50632630
O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(Cl)c3)nc(I)nc21
|
C17H17ClIN5O2S 517.780000 |
JKWBJAPOWMKHMQ-MBNYWOFBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632630; PubChem:CID172464479
|
Local ready
Direct docking supported
|
|
E3L064423
BDB064423
|
BDBM50632631
O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)[C@@H]1O
|
C19H19Cl2N5O2 420.300000 |
YXCQDXVICCQMBX-FKQYMORYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632631; PubChem:CID172454964
|
Local ready
Direct docking supported
|
|
E3L064424
BDB064424
|
BDBM50632632
O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@@H]1O
|
C19H19BrClN5O2 464.751000 |
DFHKWQUOWHFEGC-FKQYMORYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632632; PubChem:CID172460481
|
Local ready
Direct docking supported
|
|
E3L064425
BDB064425
|
BDBM50632633
O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]1O
|
C19H19ClIN5O2 511.751000 |
UKLCLLCNEQKBHK-FKQYMORYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632633; PubChem:CID172453524
|
Local ready
Direct docking supported
|
|
E3L064426
BDB064426
|
BDBM50632634
O[C@@H]1C[C@@H]2C[C@]2(Cn2cnc3c(NCc4cccc(I)c4)nc(I)nc32)[C@@H]1O
|
C19H19I2N5O2 603.202000 |
TVBNDGNGIFVZLS-FKQYMORYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632634; PubChem:CID172449509
|
Local ready
Direct docking supported
|
|
E3L064427
BDB064427
|
BDBM50632635
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21
|
C19H19BrClN5O2 464.751000 |
QOXYNSJNXXZEKN-HGYYMRRCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632635; PubChem:CID172471471
|
Local ready
Direct docking supported
|
|
E3L064428
BDB064428
|
BDBM50632636
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21
|
C19H19ClIN5O2 511.751000 |
ZPTMKBZDOIBAAZ-HGYYMRRCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632636; PubChem:CID172462870
|
Local ready
Direct docking supported
|
|
E3L064429
BDB064429
|
BDBM50632637
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(C(F)(F)F)c3)nc(Cl)nc21
|
C20H19ClF3N5O2 453.852000 |
HHNDILLYULJAKN-HGYYMRRCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632637; PubChem:CID172463331
|
Local ready
Direct docking supported
|
|
E3L064430
BDB064430
|
BDBM50632638
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3ccccc3I)nc(Cl)nc21
|
C19H19ClIN5O2 511.751000 |
LTLXRDGYWDTXHB-TVJKQAJBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632638; PubChem:CID172439349
|
Local ready
Direct docking supported
|
|
E3L064431
BDB064431
|
BDBM50632639
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(I)nc21
|
C19H19I2N5O2 603.202000 |
OGHIRLUUGKNLID-HGYYMRRCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632639; PubChem:CID172463197
|
Local ready
Direct docking supported
|
|
E3L064432
BDB064432
|
BDBM50632640
O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)CC[C@H]1O
|
C18H19BrClN5O2 452.740000 |
XYRGBYVDYTWOAH-LNSITVRQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632640; PubChem:CID172462680
|
Local ready
Direct docking supported
|
|
E3L064433
BDB064433
|
BDBM50632641
O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)CC[C@H]1O
|
C18H19ClIN5O2 499.740000 |
CNUAHKCIKMUMRM-LNSITVRQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632641; PubChem:CID172461850
|
Local ready
Direct docking supported
|
|
E3L064434
BDB064434
|
BDBM50632642
O[C@H]1[C@H](Cn2cnc3c(NCc4cccc(I)c4)nc(I)nc32)CC[C@H]1O
|
C18H19I2N5O2 591.191000 |
QQQUEJRXQAQRMP-LNSITVRQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632642; PubChem:CID172461264
|
Local ready
Direct docking supported
|
|
E3L064435
BDB064435
|
BDBM50632643
O[C@@H]1[C@H](O)C=C[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21
|
C18H17BrClN5O2 450.724000 |
KTDDZSINHGWEKW-LNSITVRQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632643; PubChem:CID172450435
|
Local ready
Direct docking supported
|
|
E3L064436
BDB064436
|
BDBM50632644
O[C@@H]1[C@H](O)C=C[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21
|
C18H17ClIN5O2 497.724000 |
XQUITDSAALFRRH-LNSITVRQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50632644; PubChem:CID172440991
|
Local ready
Direct docking supported
|
|
E3L064437
BDB064437
|
BDBM50632824
C=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](O)[C@](Cl)(COC(=O)c4ccccc4)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O
|
C36H37ClO11 681.134000 |
BTDSXDDPJSVQAE-BVNKNNPGSA-N | Q8N122 | Regulatory-associated protein of mTOR |
BindingDB
BindingDB:BDBM50632824
|
Local ready
Direct docking supported
|
|
E3L064438
BDB064438
|
BDBM50632831
CCc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCOCC(C)C
|
C18H21ClN4O3 376.844000 |
IOHJEWFKBRNJIO-UHFFFAOYSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50632831; PubChem:CID166558326
|
Local ready
Direct docking supported
|
|
E3L064439
BDB064439
|
BDBM50633041
CC#C[C@@H](CC(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
|
C19H15F3O2 332.321000 |
AFPNEBYEAGGIPJ-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50633041; PubChem:CID170551874
|
Local ready
Direct docking supported
|
|
E3L064440
BDB064440
|
PPAR|A/GR modulator 1
Cc1cc(O)c(C(=O)/C=C/c2ccnc(F)c2)c(=O)o1
|
C14H10FNO4 275.235000 |
FDUNJKZGKXZYCK-NSCUHMNNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50633123; PubChem:CID166177012
|
Local ready
Direct docking supported
|