| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017421
BDB017421
|
Irak4-IN-20
CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1
|
C22H25F3N4O3 450.461000 |
NWFPCWIBSBZRGV-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM395296; PubChem:CID121364971
|
Local ready
Direct docking supported
|
|
E3L017422
BDB017422
|
Tetraiodothyroacetic acid
O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
|
C14H8I4O4 747.830000 |
PPJYSSNKSXAVDB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM398043; PubChem:CID65552
|
Local ready
Direct docking supported
|
|
E3L017423
BDB017423
|
BDBM404371
COc1ccc(C(=O)C2CCN([C@@H]3CCN(Cc4cc5ccccc(=O)c5[nH]4)C3=O)CC2)cc1
|
C27H29N3O4 459.546000 |
FICOSMQGCGGNKM-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM404371; PubChem:CID135208159
|
Local ready
Direct docking supported
|
|
E3L017424
BDB017424
|
BDBM405827
O=C(CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
|
C28H22F2N6O4 544.518000 |
BGFOEUFOBZQIEL-MTJSOVHGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM405827; PubChem:CID124126388
|
Local ready
Direct docking supported
|
|
E3L017425
BDB017425
|
BDBM405828
O=C1Nc2ccc(NC(=O)c3cccc(NC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)cc2/C1=C/c1cnc[nH]1
|
C32H22F2N6O4 592.562000 |
YJCWUJKWNBKVAH-QFEZKATASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM405828; PubChem:CID124126394
|
Local ready
Direct docking supported
|
|
E3L017426
BDB017426
|
BDBM405829
O=C(CCCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
|
C29H24F2N6O4 558.545000 |
WSCBMCCISYODBR-XKZIYDEJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM405829; PubChem:CID124126393
|
Local ready
Direct docking supported
|
|
E3L017427
BDB017427
|
BDBM408599
COc1ccc2c(c1)[C@]1(C[C@@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
|
C28H28N6O2 480.572000 |
JAHZZERYOWPURL-DFHRPNOPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408599; PubChem:CID67954693
|
Local ready
Direct docking supported
|
|
E3L017428
BDB017428
|
BDBM408600
CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cn2)CC1
|
C27H26N6O 450.546000 |
IKVNNBYIDXRNMG-IDISGSTGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408600; PubChem:CID58486228
|
Local ready
Direct docking supported
|
|
E3L017429
BDB017429
|
BDBM408601
CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(Br)cc56)ccc34)cn2)CC1
|
C27H25BrN6O 529.442000 |
SNPCIUXCKDAUAS-IDISGSTGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408601; PubChem:CID58486379
|
Local ready
Direct docking supported
|
|
E3L017430
BDB017430
|
BDBM408602
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCOCC5)nc4)n[nH]c3c1)C(=O)N2
|
C27H25N5O3 467.529000 |
ZWOUJAABXJJBDH-IDISGSTGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408602; PubChem:CID58486131
|
Local ready
Direct docking supported
|
|
E3L017431
BDB017431
|
BDBM408603
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCNCC5)nc4)n[nH]c3c1)C(=O)N2
|
C27H26N6O2 466.545000 |
RWWBKGXFCBFEPH-IDISGSTGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408603; PubChem:CID58486377
|
Local ready
Direct docking supported
|
|
E3L017432
BDB017432
|
BDBM408608
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C28H26N4O 434.543000 |
NZBZBQUHFXSFOR-HPQNQFLQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408608; PubChem:CID67954390
|
Local ready
Direct docking supported
|
|
E3L017433
BDB017433
|
BDBM408609
O=C1Nc2ncc(Br)cc2[C@]12C[C@H]2c1ccc2c(/C=C/c3cccnc3)n[nH]c2c1
|
C23H16BrN5O 458.319000 |
HECCINDJIBEATO-LOHDKDCOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408609; PubChem:CID67954657
|
Local ready
Direct docking supported
|
|
E3L017434
BDB017434
|
BDBM408613
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
|
C30H30N6O2 506.610000 |
XMHCFCMVNKTYOH-QLCJWNRRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408613; PubChem:CID67978690
|
Local ready
Direct docking supported
|
|
E3L017435
BDB017435
|
BDBM408620
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4ccnc(N5CCN(C)CC5)c4)n[nH]c3c1)C(=O)N2
|
C28H28N6O2 480.572000 |
ZWVVQRZMRVRZFD-WNWQKLGWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408620; PubChem:CID58486209
|
Local ready
Direct docking supported
|
|
E3L017436
BDB017436
|
BDBM408621
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C29H29N5O2 479.584000 |
ZSMPGSBOZTVRAJ-PEFOLFAWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408621; PubChem:CID67978691
|
Local ready
Direct docking supported
|
|
E3L017437
BDB017437
|
BDBM408623
O=C1Nc2ccc(F)cc2[C@]12CC2c1ccc2c(I)n[nH]c2c1
|
C17H11FIN3O 419.197000 |
UKGMAACIEPMUPX-TYJDENFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408623; PubChem:CID89965945
|
Local ready
Direct docking supported
|
|
E3L017438
BDB017438
|
BDBM408624
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H30N4O3 506.606000 |
RMGQWXVHWUUVLJ-GPCCWOBWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408624; PubChem:CID58486132
|
Local ready
Direct docking supported
|
|
E3L017439
BDB017439
|
BDBM408627
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4cccc(CO)c4)n[nH]c3c1)C(=O)N2
|
C25H21N3O3 411.461000 |
KIIOZVOGWPCQKP-KUXBLMNESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408627; PubChem:CID58486233
|
Local ready
Direct docking supported
|
|
E3L017440
BDB017440
|
BDBM408641
O=C1Nc2ccccc2[C@]12CC2c1ccc2c(/C=C/c3ccc(CN4CCCCC4)cc3)n[nH]c2c1
|
C31H30N4O 474.608000 |
QRDCBCOPUDYBCB-VGIPLLNHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408641; PubChem:CID67978693
|
Local ready
Direct docking supported
|