| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054421
BDB054421
|
BDBM50377170
Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
|
C17H18ClN5 327.819000 |
TWWKXZDIDHDHRF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50377170; PubChem:CID44449050
|
Local ready
Direct docking supported
|
|
E3L054422
BDB054422
|
BDBM50377179
Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
|
C17H18ClN5 327.819000 |
SZFYZDIPRMLBDC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50377179; PubChem:CID25169384
|
Local ready
Direct docking supported
|
|
E3L054423
BDB054423
|
IRAK4 inhibitor rac-45
Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1
|
C16H16ClN5 313.792000 |
NAMQQRIYZTTYCJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50377180; PubChem:CID25169383
|
Local ready
Direct docking supported
|
|
E3L054424
BDB054424
|
BDBM50377181
Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
|
C15H14ClN5 299.765000 |
RDTAHMIMQLRAMR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50377181; PubChem:CID25169382
|
Local ready
Direct docking supported
|
|
E3L054425
BDB054425
|
BDBM50377230
O=C(O)c1ccc(Nc2ncc3nnn(C45CC6CC(CC(C6)C4)C5)c3n2)cc1
|
C21H22N6O2 390.447000 |
HZOKUCWZAVEKGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377230; PubChem:CID44448716
|
Local ready
Direct docking supported
|
|
E3L054426
BDB054426
|
BDBM50377232
O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc21
|
C18H12N6O2 344.334000 |
BSGQUBKLPKMFRV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377232; PubChem:CID44448738
|
Local ready
Direct docking supported
|
|
E3L054427
BDB054427
|
BDBM50377234
O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC34CC5CC(CC(O)(C5)C3)C4)n2)cc1
|
C21H23N5O5 425.445000 |
YLVVCSCPLBFQFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377234; PubChem:CID25167905
|
Local ready
Direct docking supported
|
|
E3L054428
BDB054428
|
BDBM50377235
O=C(O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
|
C18H14N6O3 362.349000 |
DNCXPYGCTRGWJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377235; PubChem:CID44448292
|
Local ready
Direct docking supported
|
|
E3L054429
BDB054429
|
BDBM50377236
O=C(O)COc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3)n2)cc1
|
C18H15N5O5 381.348000 |
LCIMOJQEZXDWTA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377236; PubChem:CID44448295
|
Local ready
Direct docking supported
|
|
E3L054430
BDB054430
|
BDBM50377237
O=C(O)/C=C\c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
|
C19H14N6O2 358.361000 |
QEQDTPMQMKDYJW-FLIBITNWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377237; PubChem:CID44448294
|
Local ready
Direct docking supported
|
|
E3L054431
BDB054431
|
BDBM50377240
O=C(O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
|
C19H16N6O2 360.377000 |
BEYDVFUQKWNRPT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377240; PubChem:CID44448318
|
Local ready
Direct docking supported
|
|
E3L054432
BDB054432
|
BDBM50377241
O=C(O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
|
C17H12N6O2 332.323000 |
SRUYEOQJIXGTDT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377241; PubChem:CID44448320
|
Local ready
Direct docking supported
|
|
E3L054433
BDB054433
|
4-[(4-Anilino-5-nitropyrimidin-2-yl)amino]benzoic acid
O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3)n2)cc1
|
C17H13N5O4 351.322000 |
WMSHTIRWIOFMAY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50377243; PubChem:CID44448397
|
Local ready
Direct docking supported
|
|
E3L054434
BDB054434
|
BDBM50377302
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)cc1
|
C29H27F3N4O4 552.553000 |
ABIFPJDABNXEMK-GGAORHGYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377302; PubChem:CID10347566
|
Local ready
Direct docking supported
|
|
E3L054435
BDB054435
|
BDBM50377303
CCCOC(=O)N1C=C(Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C(C(=O)O)CC1
|
C29H32N2O6 504.583000 |
PEQYJQCGWJYJFU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377303; PubChem:CID44449001
|
Local ready
Direct docking supported
|
|
E3L054436
BDB054436
|
BDBM50377304
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCc3ccccc3)CCC2C(=O)O)c1
|
C33H32N2O6 552.627000 |
SYXYLISWDVAZME-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377304; PubChem:CID44449024
|
Local ready
Direct docking supported
|
|
E3L054437
BDB054437
|
BDBM50377305
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(c3nccc(C(F)(F)F)n3)CCC2C(=O)O)c1
|
C30H27F3N4O4 564.564000 |
IEGYKDPCLABPHO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50377305; PubChem:CID9985365
|
Local ready
Direct docking supported
|
|
E3L054438
BDB054438
|
BDBM50377306
CCCOC(=O)N1CCC(C(=O)O)=C(Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1
|
C29H32N2O6 504.583000 |
VMEIKRBUQFUYSV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377306; PubChem:CID44449049
|
Local ready
Direct docking supported
|
|
E3L054439
BDB054439
|
BDBM50377307
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(c3nccc(C(F)(F)F)n3)C2)c1
|
C30H27F3N4O4 564.564000 |
JBDJCTCTEBLBKK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377307; PubChem:CID44449076
|
Local ready
Direct docking supported
|
|
E3L054440
BDB054440
|
BDBM50377308
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2CN(C(=O)Oc3ccccc3)CCC2CC(=O)O)c1
|
C32H32N2O6 540.616000 |
IIGKUFIQZADLCW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50377308; PubChem:CID44449100
|
Local ready
Direct docking supported
|