| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055481
BDB055481
|
BDBM50418252
CC(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C14H16N6 268.324000 |
VBJULRMRDQBSIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418252; PubChem:CID51356852
|
Local ready
Direct docking supported
|
|
E3L055482
BDB055482
|
6-(2-Amino-6-phenyl-4-pyrimidinyl)-1H-indazol-3-amine
Nc1nc(-c2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
|
C17H14N6 302.341000 |
NQVSRBQAHLEDFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418253; PubChem:CID46214481
|
Local ready
Direct docking supported
|
|
E3L055483
BDB055483
|
BDBM50418254
COc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C12H12N6O 256.269000 |
QEYGVZZLTIWTEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418254; PubChem:CID46216494
|
Local ready
Direct docking supported
|
|
E3L055484
BDB055484
|
BDBM50418255
CNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C12H13N7 255.285000 |
FUWKNYZEQAGYBA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418255; PubChem:CID51356853
|
Local ready
Direct docking supported
|
|
E3L055485
BDB055485
|
BDBM50418256
Nc1nc(-c2ccc3c(N)[nH]nc3c2)cc(N2CCOCC2)n1
|
C15H17N7O 311.349000 |
IBSXLFOFZRSWEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418256; PubChem:CID46214653
|
Local ready
Direct docking supported
|
|
E3L055486
BDB055486
|
BDBM50418257
C[C@@H]1CCCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C17H21N7 323.404000 |
XWODEDHTMYVLNJ-SNVBAGLBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418257; PubChem:CID51357138
|
Local ready
Direct docking supported
|
|
E3L055487
BDB055487
|
BDBM50418258
C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C22H30N8O2 438.536000 |
GAMJJHMLLXIWRZ-OCCSQVGLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418258; PubChem:CID51354329
|
Local ready
Direct docking supported
|
|
E3L055488
BDB055488
|
6-(2-Amino-6-methyl-4-pyrimidinyl)-1H-indazol-3-amine
Cc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C12H12N6 240.270000 |
JZOJBOMGNJTZMY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418259; PubChem:CID46214482
|
Local ready
Direct docking supported
|
|
E3L055489
BDB055489
|
BDBM50418260
CCNc1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1
|
C13H15N7 269.312000 |
RIXHCYHQTKRWDU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418260; PubChem:CID46214652
|
Local ready
Direct docking supported
|
|
E3L055490
BDB055490
|
BDBM50418557
CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
C26H25NO4 415.489000 |
RMDJIMNZUHKLRF-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418557; PubChem:CID54274028
|
Local ready
Direct docking supported
|
|
E3L055491
BDB055491
|
BDBM50418558
CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O
|
C26H26N2O3 414.505000 |
DFDXDCOQNQRXIR-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418558; PubChem:CID91900301
|
Local ready
Direct docking supported
|
|
E3L055492
BDB055492
|
BDBM50418559
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N=C(C)CC(=O)c1ccccc1
|
C27H27NO4 429.516000 |
RGYNFWCLFWBFSS-VWLOTQADSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418559; PubChem:CID54266231
|
Local ready
Direct docking supported
|
|
E3L055493
BDB055493
|
BDBM50418560
O=C(C1=C(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CCCC1)c1ccccc1
|
C29H29NO4 455.554000 |
JIQZXPNJCFZXNY-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418560; PubChem:CID10527748
|
Local ready
Direct docking supported
|
|
E3L055494
BDB055494
|
BDBM50418561
O=C(c1ccccc1)c1ccc(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)cc1
|
C29H25NO4 451.522000 |
LJWVXKXONHTZHU-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418561; PubChem:CID44364361
|
Local ready
Direct docking supported
|
|
E3L055495
BDB055495
|
BDBM50418562
CC1(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)CCCCC1
|
C30H33NO4 471.597000 |
OBNKQBYKPKBWOW-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418562; PubChem:CID10624243
|
Local ready
Direct docking supported
|
|
E3L055496
BDB055496
|
BDBM50418563
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc1)O2
|
C36H37NO6 579.693000 |
OUOHCCLYSSBSLR-BRKUKBBPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418563; PubChem:CID10745789
|
Local ready
Direct docking supported
|
|
E3L055497
BDB055497
|
BDBM50418564
CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H29N3O5 535.600000 |
ZZLLEVLMZDJINU-NDEPHWFRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50418564; PubChem:CID10186986
|
Local ready
Direct docking supported
|
|
E3L055498
BDB055498
|
BDBM50418565
CN(CCOc1ccc(CC(Cc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C33H30N2O5 534.612000 |
QFSFHFQYHBZAAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418565; PubChem:CID10673872
|
Local ready
Direct docking supported
|
|
E3L055499
BDB055499
|
BDBM50418566
CN(CCOc1ccc(CC(Sc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H28N2O5S 552.652000 |
OSBXMUFWXZFKJS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418566; PubChem:CID10506906
|
Local ready
Direct docking supported
|
|
E3L055500
BDB055500
|
BDBM50418567
CN(CCOc1ccc(CC(Nc2cccc3c2C(=O)c2ccccc2-3)C(=O)O)cc1)c1nc2ccccc2o1
|
C32H27N3O5 533.584000 |
BLPWXBLCQDLFEG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50418567; PubChem:CID10816129
|
Local ready
Direct docking supported
|