| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047741
BDB047741
|
BDBM50181537
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
|
C28H30F2N6O4S 584.649000 |
DYAYBUDFGBTDNI-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181537; PubChem:CID11628500
|
Local ready
Direct docking supported
|
|
E3L047742
BDB047742
|
BDBM50181538
COc1cc2c(Nc3ncc(CC(=O)Nc4ccccc4C(N)=O)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
|
C29H33N7O5S 591.694000 |
WCRZKNCQZBPXIT-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181538; PubChem:CID11599631
|
Local ready
Direct docking supported
|
|
E3L047743
BDB047743
|
BDBM50181539
COc1cc2c(Nc3nc(CC(=O)Nc4cccc(F)c4)cs3)ncnc2cc1OCCCN1CCOCC1
|
C27H29FN6O4S 552.632000 |
NFCAJLCVTMPSFF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181539; PubChem:CID11613706
|
Local ready
Direct docking supported
|
|
E3L047744
BDB047744
|
BDBM50181540
CCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)s1)c1ccccc1
|
C29H34N6O4S 562.696000 |
UCPDUMRVOIJGJU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181540; PubChem:CID11592171
|
Local ready
Direct docking supported
|
|
E3L047745
BDB047745
|
BDBM50181542
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCNCCO
|
C25H27FN6O4S 526.594000 |
UZWFLOSUVZITCB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181542; PubChem:CID11548214
|
Local ready
Direct docking supported
|
|
E3L047746
BDB047746
|
BDBM50181544
COc1cc2c(Nc3ncc(CNS(=O)(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
|
C28H33FN6O5S2 616.741000 |
ZJPUQUNOMKGXTC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181544; PubChem:CID11505438
|
Local ready
Direct docking supported
|
|
E3L047747
BDB047747
|
BDBM50181547
COc1cc2c(Nc3ncc(C(=O)Nc4ccc(F)cc4)s3)ncnc2cc1OCCCN1CCOCC1
|
C26H27FN6O4S 538.605000 |
GUKNWLMFOBWSRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181547; PubChem:CID11663832
|
Local ready
Direct docking supported
|
|
E3L047748
BDB047748
|
BDBM50181549
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(N(C)C)c4)s3)ncnc2cc1OCCCN1CCC[C@H]1CO
|
C30H37N7O4S 591.738000 |
GTADHMXENUUJMP-QFIPXVFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181549; PubChem:CID11699912
|
Local ready
Direct docking supported
|
|
E3L047749
BDB047749
|
BDBM50181550
COCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC
|
C23H22FN5O4S 483.525000 |
IBQHDBZMXPNKAU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181550; PubChem:CID11598217
|
Local ready
Direct docking supported
|
|
E3L047750
BDB047750
|
BDBM50181552
COc1cc2c(Nc3ncc(CNC(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
|
C29H33FN6O4S 580.686000 |
FHFXXELCOMBVAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181552; PubChem:CID11692746
|
Local ready
Direct docking supported
|
|
E3L047751
BDB047751
|
BDBM50181553
COc1cc2c(Nc3ncc(C(=O)Nc4ccc(F)cc4)[nH]3)ncnc2cc1OCCCN1CCOCC1
|
C26H28FN7O4 521.553000 |
CZWFMNGZVXFFDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181553; PubChem:CID11533732
|
Local ready
Direct docking supported
|
|
E3L047752
BDB047752
|
BDBM50181554
COc1cc2c(Nc3ncc(CC(=O)NCCC(C)C)s3)ncnc2cc1OCCCN1CCOCC1
|
C26H36N6O4S 528.679000 |
HBNGNYDOGUNIOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181554; PubChem:CID11713454
|
Local ready
Direct docking supported
|
|
E3L047753
BDB047753
|
BDBM50181556
COc1cc2c(Nc3ncc(C)s3)ncnc2cc1OCCCN1CCOCC1
|
C20H25N5O3S 415.519000 |
ANIODNBRYFSVJO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181556; PubChem:CID11502548
|
Local ready
Direct docking supported
|
|
E3L047754
BDB047754
|
BDBM50181557
COc1cccc(NC(=O)Cc2cnc(Nc3ncnc4cc(OCCCN5CCC[C@H]5CO)c(OC)cc34)s2)c1
|
C29H34N6O5S 578.695000 |
YIQYJKSVIIKEJE-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50181557; PubChem:CID11519853
|
Local ready
Direct docking supported
|
|
E3L047755
BDB047755
|
BDBM50181902
O=C(O)Cn1ccc2ccc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)cc21
|
C26H22FNO5 447.462000 |
ARANAEFVKLANAH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50181902; PubChem:CID11640895
|
Local ready
Direct docking supported
|
|
E3L047756
BDB047756
|
BDBM50181903
CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)O)c1
|
C29H28FNO5 489.543000 |
XNMKUDNOJPRNBG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181903; PubChem:CID11627288
|
Local ready
Direct docking supported
|
|
E3L047757
BDB047757
|
BDBM50181904
O=C(O)Cn1ccc2cc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)ccc21
|
C30H25NO5 479.532000 |
YLXUCIABXCKZJS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181904; PubChem:CID11294565
|
Local ready
Direct docking supported
|
|
E3L047758
BDB047758
|
BDBM50181905
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc(C(=O)c3ccccc3)ccc12
|
C33H31NO5 521.613000 |
DEKKPOFNXDYMKA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181905; PubChem:CID11526493
|
Local ready
Direct docking supported
|
|
E3L047759
BDB047759
|
BDBM50181906
O=C(O)Cn1ccc2c(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cccc21
|
C30H25NO5 479.532000 |
PPVXGVGCRLCSQA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181906; PubChem:CID11511317
|
Local ready
Direct docking supported
|
|
E3L047760
BDB047760
|
BDBM50181907
CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1cccc2c1ccn2CC(=O)O
|
C29H28FNO5 489.543000 |
USVDKVGSRMENDJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50181907; PubChem:CID11705832
|
Local ready
Direct docking supported
|