| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051741
BDB051741
|
BDBM50307549
Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccncc3)ncc1CC2
|
C17H17N7O 335.371000 |
UOLGGWWZSJIIHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307549; PubChem:CID45142014
|
Local ready
Direct docking supported
|
|
E3L051742
BDB051742
|
BDBM50307550
CC(=O)N1CCC(n2nc(C(N)=O)c3c2-c2nc(NC4CCCC4)ncc2CC3)CC1
|
C22H29N7O2 423.521000 |
NOAACOSHLOXNIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307550; PubChem:CID45139796
|
Local ready
Direct docking supported
|
|
E3L051743
BDB051743
|
BDBM50307551
CN1CCN(c2cccc(CNc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1
|
C23H28N8O 432.532000 |
HOJYIPVBRINFGF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307551; PubChem:CID45142012
|
Local ready
Direct docking supported
|
|
E3L051744
BDB051744
|
BDBM50307552
Cn1nc(C(N)=O)c2c1-c1nc(NCc3cccnc3)ncc1CC2
|
C17H17N7O 335.371000 |
OPCCGXSXPYCKGR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307552; PubChem:CID45142015
|
Local ready
Direct docking supported
|
|
E3L051745
BDB051745
|
BDBM50307553
COc1ccc(-n2nc(C(N)=O)c3c2-c2nc(NC4CCCC4)ncc2CC3)cc1
|
C22H24N6O2 404.474000 |
XBIWTDZZJVRIIX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307553; PubChem:CID45139611
|
Local ready
Direct docking supported
|
|
E3L051746
BDB051746
|
BDBM50307554
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)N4CCN(C)CC4)CC3)nc1-2
|
C23H33N9O2 467.578000 |
HNXLNRHGDTVGDP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307554; PubChem:CID45139994
|
Local ready
Direct docking supported
|
|
E3L051747
BDB051747
|
BDBM50307555
CCOC(=O)N1CCC(C(=O)N2CCC(Nc3ncc4c(n3)-c3c(c(C(=O)NC)nn3C)CC4)CC2)CC1
|
C26H36N8O4 524.626000 |
SCWFKTCRDHIMRO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307555; PubChem:CID46233221
|
Local ready
Direct docking supported
|
|
E3L051748
BDB051748
|
BDBM50307987
CC(C)(C)C(=O)N1Cc2c(n[nH]c2NC(=O)c2cc(F)cc(F)c2)C1(C)C
|
C19H22F2N4O2 376.407000 |
QXBKFUBBGBWPCJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307987; PubChem:CID10429593
|
Local ready
Direct docking supported
|
|
E3L051749
BDB051749
|
BDBM50307989
CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C1C2C=CC(C2)C1C(=O)O
|
C29H27NO5S 501.604000 |
PGQNLABOVUNFPI-UHFFFAOYSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB, PubChem
BindingDB:BDBM50307989; PubChem:CID46228829
|
Local ready
Direct docking supported
|
|
E3L051750
BDB051750
|
BDBM50307990
CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)C1C2C=CC(C2)C1C(=O)O
|
C29H26ClNO5S 536.049000 |
OATVBPXSEYWMNJ-UHFFFAOYSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB, PubChem
BindingDB:BDBM50307990; PubChem:CID46228871
|
Local ready
Direct docking supported
|
|
E3L051751
BDB051751
|
BDBM50307997
CCOC(=O)c1c(-c2ccc(-c3ccc(F)c(Cl)c3)cc2)csc1NC(=O)c1ccccc1C(=O)O
|
C27H19ClFNO5S 523.969000 |
CPAIZRZTFRDJHV-UHFFFAOYSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB, PubChem
BindingDB:BDBM50307997; PubChem:CID46228921
|
Local ready
Direct docking supported
|
|
E3L051752
BDB051752
|
BDBM50307999
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccccc1C(=O)O
|
C27H21NO5S 471.534000 |
FRVLYMWGVLAWLJ-UHFFFAOYSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB, PubChem
BindingDB:BDBM50307999; PubChem:CID1902393
|
Local ready
Direct docking supported
|
|
E3L051753
BDB051753
|
BDBM50308000
CCc1oc2cc(S(=O)(=O)Nc3nccs3)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
|
C20H14Br2N2O5S2 586.283000 |
KTISQHZPQUEIPS-UHFFFAOYSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB, PubChem
BindingDB:BDBM50308000; PubChem:CID46228445
|
Local ready
Direct docking supported
|
|
E3L051754
BDB051754
|
Lestaurtinib
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
|
C26H21N3O4 439.471000 |
UIARLYUEJFELEN-LROUJFHJSA-N | O14965, O43172, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, U4/U6 small nuclear ribonucleoprotein Prp4 |
BindingDB, PubChem
BindingDB:BDBM50308060; PubChem:CID126565
|
Local ready
Direct docking supported
|
|
E3L051755
BDB051755
|
BDBM50309063
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1
|
C23H28N2O6S 460.552000 |
KUHWEXZKYYSHFA-PFSMGOMWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50309063; PubChem:CID46229832
|
Local ready
Direct docking supported
|
|
E3L051756
BDB051756
|
BDBM50309064
CCCCc1cccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)c1
|
C26H34N2O4 438.568000 |
SARCXQPFDLCCLT-LMVJEOCVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50309064; PubChem:CID46229833
|
Local ready
Direct docking supported
|
|
E3L051757
BDB051757
|
BDBM50309065
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1cccc(-c2ccccc2)c1
|
C28H30N2O4 458.558000 |
JEYYIEGZMBGNNH-DNLCAZFRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309065; PubChem:CID46229834
|
Local ready
Direct docking supported
|
|
E3L051758
BDB051758
|
BDBM50309066
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc2ccccc2c1
|
C26H28N2O4 432.520000 |
KFCRZRAUCOEGLD-FZEFFVDLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309066; PubChem:CID46229835
|
Local ready
Direct docking supported
|
|
E3L051759
BDB051759
|
BDBM50309067
C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccc2c(c1)CCCC2
|
C26H32N2O4 436.552000 |
MTOASPZWVHPDGB-FZEFFVDLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50309067; PubChem:CID46229869
|
Local ready
Direct docking supported
|
|
E3L051760
BDB051760
|
BDBM50309068
COc1ccc(/C(C)=N/OCCCCO/N=C(/CCC(=O)O)c2ccccc2)cc1OC
|
C24H30N2O6 442.512000 |
NRVBZUVHXBZFDN-BWDNKYJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50309068; PubChem:CID46229870
|
Local ready
Direct docking supported
|