| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054301
BDB054301
|
BDBM50370509
CCc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C29H26ClN5O2 512.013000 |
ZEVUIDOBQPKBIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370509; PubChem:CID145955353
|
Local ready
Direct docking supported
|
|
E3L054302
BDB054302
|
BDBM50370510
CC(C)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)c1
|
C30H28ClN5O2 526.040000 |
MZOWKBSAYUJCKQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370510; PubChem:CID145952622
|
Local ready
Direct docking supported
|
|
E3L054303
BDB054303
|
BDBM50370511
CCc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)cc1
|
C29H26ClN5O2 512.013000 |
MTIWAQLYXOZHBE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370511; PubChem:CID145972008
|
Local ready
Direct docking supported
|
|
E3L054304
BDB054304
|
BDBM50370512
CC(C)c1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)cc1
|
C30H28ClN5O2 526.040000 |
XXIGRUYWGADOAW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370512; PubChem:CID145949906
|
Local ready
Direct docking supported
|
|
E3L054305
BDB054305
|
BDBM50370513
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1)Nc1ccc(CN2CCCCC2)cc1
|
C33H33ClN6O2 581.120000 |
PNJRNTPHIQUHQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370513; PubChem:CID145954009
|
Local ready
Direct docking supported
|
|
E3L054306
BDB054306
|
BDBM50370514
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1
|
C27H22ClN5O2 483.959000 |
HLESTJFKZRMHRR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370514; PubChem:CID44470318
|
Local ready
Direct docking supported
|
|
E3L054307
BDB054307
|
BDBM50370515
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)cc1)Nc1cccc(CN2CCCCC2)c1
|
C33H33ClN6O2 581.120000 |
YGXXXNQYDYUAKU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370515; PubChem:CID145949228
|
Local ready
Direct docking supported
|
|
E3L054308
BDB054308
|
BDBM50370516
CCN(CC)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(Cl)c34)cc2)cc1
|
C32H33ClN6O2 569.109000 |
DZLVIIVTIVFGQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50370516; PubChem:CID145956084
|
Local ready
Direct docking supported
|
|
E3L054309
BDB054309
|
BDBM50370846
O=C(NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)(C(=O)O)C(=O)O)c1ccc(Cl)cc1
|
C26H21ClN2O6 492.915000 |
OPZOAJQWACPFCY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50370846; PubChem:CID44420085
|
Local ready
Direct docking supported
|
|
E3L054310
BDB054310
|
BDBM50370847
O=C(NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O)c1ccc(Cl)cc1
|
C25H21ClN2O4 448.906000 |
XKLQDWYXBTYWLA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50370847; PubChem:CID16049817
|
Local ready
Direct docking supported
|
|
E3L054311
BDB054311
|
Ciprofibrate
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
|
C13H14Cl2O3 289.158000 |
KPSRODZRAIWAKH-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50371235; PubChem:CID2763
|
Local ready
Direct docking supported
|
|
E3L054312
BDB054312
|
BDBM50372017
O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1Cc1ccccc1
|
C19H14N4O3 346.346000 |
RYFYCRYLRRRMAD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50372017
|
Local ready
Direct docking supported
|
|
E3L054313
BDB054313
|
BDBM50372018
CC(=O)Nc1cccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)c1
|
C21H17N5O4 403.398000 |
LAMPXYITURWTLK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50372018; PubChem:CID44454852
|
Local ready
Direct docking supported
|
|
E3L054314
BDB054314
|
BDBM50372019
COc1ccccc1CN1Cc2c(nc3cc(-c4ccco4)[nH]n3c2=O)C1=O
|
C20H16N4O4 376.372000 |
KMPFNKLKSSBXEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50372019; PubChem:CID25008277
|
Local ready
Direct docking supported
|
|
E3L054315
BDB054315
|
BDBM50372020
COc1cccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)c1
|
C20H16N4O4 376.372000 |
WJGLAIIAZPVEIP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50372020; PubChem:CID44454890
|
Local ready
Direct docking supported
|
|
E3L054316
BDB054316
|
BDBM50372021
COc1ccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)cc1
|
C20H16N4O4 376.372000 |
ZVOKNHVZVNEVJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50372021; PubChem:CID44454924
|
Local ready
Direct docking supported
|
|
E3L054317
BDB054317
|
BDBM50372105
COc1ccc(N2C(=O)[C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)[C@H]2C(=O)O)cc1
|
C30H28N2O6 512.562000 |
WTRWFOXPPRLKFP-BDYUSTAISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50372105; PubChem:CID9983904
|
Local ready
Direct docking supported
|
|
E3L054318
BDB054318
|
BDBM50372106
COc1ccc(N2C(=O)[C@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@@H]2C(=O)O)cc1
|
C30H28N2O6 512.562000 |
DKIUFVFEAUCDLY-XNMGPUDCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50372106; PubChem:CID44453670
|
Local ready
Direct docking supported
|
|
E3L054319
BDB054319
|
BDBM50372107
COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)O)cc1
|
C30H28N2O6 512.562000 |
DKIUFVFEAUCDLY-BDYUSTAISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50372107; PubChem:CID10391684
|
Local ready
Direct docking supported
|
|
E3L054320
BDB054320
|
BDBM50372108
COc1ccc(N2C(=O)C(Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)C2C(=O)O)cn1
|
C29H27N3O6 513.550000 |
KJPHCDRIBYSNBO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50372108; PubChem:CID44453940
|
Local ready
Direct docking supported
|