| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054841
BDB054841
|
BDBM50389083
N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1
|
C24H16FN3O3S 445.475000 |
WYYSOGMUPDEQEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389083; PubChem:CID57522820
|
Local ready
Direct docking supported
|
|
E3L054842
BDB054842
|
BDBM50389084
COC[C@@H]1COc2ccc(-c3nnc(SCc4ccc(-c5ccccc5C#N)cc4)o3)cc2O1
|
C26H21N3O4S 471.538000 |
BDRSCIWOUKYOAH-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389084; PubChem:CID57523094
|
Local ready
Direct docking supported
|
|
E3L054843
BDB054843
|
BDBM50389085
COC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1
|
C19H16N2O5S 384.413000 |
UEZWIGHGLPNICR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389085; PubChem:CID70694953
|
Local ready
Direct docking supported
|
|
E3L054844
BDB054844
|
BDBM50389086
c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1
|
C22H16N2O3S 388.448000 |
ZSSPKMADGVCZPK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389086; PubChem:CID7458031
|
Local ready
Direct docking supported
|
|
E3L054845
BDB054845
|
BDBM50389087
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1
|
C23H15N3O3S 413.458000 |
FTGSDIIEHUSLHV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389087; PubChem:CID30291209
|
Local ready
Direct docking supported
|
|
E3L054846
BDB054846
|
BDBM50389160
O=C1[N]C(=S)[N]C(=O)C1=[C]c1ccc(O[C]c2ccccc2)c(Cl)c1
|
C18H8ClN2O3S 367.793000 |
NHJUTNGOMNQYCA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50389160
|
Local ready
Direct docking supported
|
|
E3L054847
BDB054847
|
BDBM50389161
O=C(Nn1cc([N+](=O)[O-])cn1)c1cccc(COc2ccc(Br)cc2)c1
|
C17H13BrN4O4 417.219000 |
XFINVNBTHCDDNO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50389161; PubChem:CID4388708
|
Local ready
Direct docking supported
|
|
E3L054848
BDB054848
|
BDBM50389162
CCOC(=O)c1sc(N2C(=O)C(=O)C(C(=O)c3cccs3)C2c2ccc(C)o2)nc1C
|
C21H18N2O6S2 458.517000 |
FWNMBCMJGUTZBQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50389162; PubChem:CID91929773
|
Local ready
Direct docking supported
|
|
E3L054849
BDB054849
|
BDBM50389214
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)OCc5cccnc5)cc4)n[nH]3)cc2)CC1
|
C29H31N7O3 525.613000 |
UYKQCKLULNMAQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389214; PubChem:CID70655010
|
Local ready
Direct docking supported
|
|
E3L054850
BDB054850
|
BDBM50389215
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)cc1)OCc1cccnc1
|
C30H32N6O4 540.624000 |
QSHCYUWYCJJVRK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389215; PubChem:CID70654753
|
Local ready
Direct docking supported
|
|
E3L054851
BDB054851
|
BDBM50389216
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1)OCc1cccnc1
|
C30H32N6O5 556.623000 |
JOUDYLFKJIFHRC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389216; PubChem:CID70654571
|
Local ready
Direct docking supported
|
|
E3L054852
BDB054852
|
BDBM50389217
Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)[nH]n3)cc2)no1
|
C28H31N7O4 529.601000 |
RRLMXJYNEGEVPP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389217; PubChem:CID70654614
|
Local ready
Direct docking supported
|
|
E3L054853
BDB054853
|
BDBM50389218
Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCCC5)cc4)[nH]n3)cc2)no1
|
C29H32N6O5 544.612000 |
JCKZGURUGPXEEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389218; PubChem:CID70654840
|
Local ready
Direct docking supported
|
|
E3L054854
BDB054854
|
BDBM50389219
Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)[nH]n3)cc2)no1
|
C29H32N6O6 560.611000 |
AMJQDHGVBVICLP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389219; PubChem:CID70655063
|
Local ready
Direct docking supported
|
|
E3L054855
BDB054855
|
BDBM50389220
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNS(=O)(=O)c5ccccc5)cc4)n[nH]3)cc2)CC1
|
C28H30N6O3S 530.654000 |
WFYFFAMAONWHGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389220; PubChem:CID70654923
|
Local ready
Direct docking supported
|
|
E3L054856
BDB054856
|
BDBM50389221
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4ccccc4)cc3)n[nH]2)cc(N2CCN(C)CC2)n1
|
C28H32N8O2 512.618000 |
HRNJXVNMZJIOTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389221; PubChem:CID70654958
|
Local ready
Direct docking supported
|
|
E3L054857
BDB054857
|
BDBM50389222
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4cccnc4)cc3)n[nH]2)cc(N2CCN(C)CC2)n1
|
C27H31N9O2 513.606000 |
QWIZDNILTWWLHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389222; PubChem:CID70654418
|
Local ready
Direct docking supported
|
|
E3L054858
BDB054858
|
BDBM50389223
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4cc(C)on4)cc3)n[nH]2)cc(N2CCN(C)CC2)n1
|
C26H31N9O3 517.594000 |
YNZOLBKDNBDZEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389223; PubChem:CID70654539
|
Local ready
Direct docking supported
|
|
E3L054859
BDB054859
|
BDBM50389224
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4ccccc4)cc3)n[nH]2)cc(N2CCN(CCO)CC2)n1
|
C29H34N8O3 542.644000 |
APKGZIMGNRKAIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389224; PubChem:CID70654997
|
Local ready
Direct docking supported
|
|
E3L054860
BDB054860
|
BDBM50389225
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4cccnc4)cc3)n[nH]2)cc(N2CCN(CCO)CC2)n1
|
C28H33N9O3 543.632000 |
DLDQLFJKMNRZQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389225; PubChem:CID70661438
|
Local ready
Direct docking supported
|