| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049741
BDB049741
|
BDBM50248147
COc1cc(Nc2nccc(Nc3cc(C)n[nH]3)n2)ccc1-c1nc2ccccc2s1
|
C22H19N7OS 429.509000 |
HSMLVQPVLGLUCI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248147; PubChem:CID44564788
|
Local ready
Direct docking supported
|
|
E3L049742
BDB049742
|
BDBM50248148
c1ccc2sc(-c3ccc(Nc4ncnc5[nH]ccc45)cc3)nc2c1
|
C19H13N5S 343.415000 |
CZUVMGAHFHQKLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248148; PubChem:CID44564789
|
Local ready
Direct docking supported
|
|
E3L049743
BDB049743
|
BDBM50248149
COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
|
C20H15N5OS 373.441000 |
CXJQAZDGOBZGLJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248149; PubChem:CID44564790
|
Local ready
Direct docking supported
|
|
E3L049744
BDB049744
|
BDBM50248150
COc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc[nH]c2n1
|
C20H15N5OS 373.441000 |
OJBMEBMIUCBAAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248150; PubChem:CID44564791
|
Local ready
Direct docking supported
|
|
E3L049745
BDB049745
|
BDBM50248178
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(C)cc2C(=O)O)c1
|
C25H24N2O4 416.477000 |
JHSHSRHLYPKZBG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50248178; PubChem:CID23402689
|
Local ready
Direct docking supported
|
|
E3L049746
BDB049746
|
BDBM50248179
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)O)c1
|
C30H26N2O4 478.548000 |
LMXWFBBGEFYBBL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248179; PubChem:CID23402760
|
Local ready
Direct docking supported
|
|
E3L049747
BDB049747
|
BDBM50248180
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(C)cc2C(=O)O)cc1
|
C25H24N2O4 416.477000 |
BPRDFQUYOSMPDD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248180; PubChem:CID44564813
|
Local ready
Direct docking supported
|
|
E3L049748
BDB049748
|
BDBM50248181
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)O)cc1
|
C30H26N2O4 478.548000 |
FIMKQDMLWGFYLN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248181; PubChem:CID23402773
|
Local ready
Direct docking supported
|
|
E3L049749
BDB049749
|
BDBM50248182
COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
|
C21H17N5O2S 403.467000 |
AOUMXCXOJGAKLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248182; PubChem:CID44564817
|
Local ready
Direct docking supported
|
|
E3L049750
BDB049750
|
N-(4-(benzo[d]thiazol-2-yl)phenyl)-9H-purin-6-amine
c1ccc2sc(-c3ccc(Nc4ncnc5nc[nH]c45)cc3)nc2c1
|
C18H12N6S 344.403000 |
VANNKDNVAYXPGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248183; PubChem:CID44564818
|
Local ready
Direct docking supported
|
|
E3L049751
BDB049751
|
BDBM50248184
COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1
|
C19H14N6OS 374.429000 |
DPBAOWACXDVJKP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248184; PubChem:CID44564819
|
Local ready
Direct docking supported
|
|
E3L049752
BDB049752
|
BDBM50248185
c1ccc2sc(-c3ccc(Nc4ncnc5ccsc45)cc3)nc2c1
|
C19H12N4S2 360.467000 |
ZCGDFAQAYLXLJV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248185; PubChem:CID44564820
|
Local ready
Direct docking supported
|
|
E3L049753
BDB049753
|
BDBM50248186
COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
|
C20H14N4OS2 390.493000 |
YVZHTPUIVFSOKV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248186; PubChem:CID44564821
|
Local ready
Direct docking supported
|
|
E3L049754
BDB049754
|
BDBM50248224
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)O)c1
|
C29H25N3O4 479.536000 |
DJDORMUXCXEIFS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248224; PubChem:CID44564853
|
Local ready
Direct docking supported
|
|
E3L049755
BDB049755
|
BDBM50248225
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2c(C(=O)O)cnn2-c2ccccc2)c1
|
C29H25N3O4 479.536000 |
QLSURSTUZJVSGU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50248225; PubChem:CID44564854
|
Local ready
Direct docking supported
|
|
E3L049756
BDB049756
|
BDBM50248226
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)nc2C(=O)O)c1
|
C29H25N3O4 479.536000 |
HZIAVVQCQZRYKZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50248226; PubChem:CID23402759
|
Local ready
Direct docking supported
|
|
E3L049757
BDB049757
|
BDBM50248227
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)cc2C(=O)O)cc1
|
C29H25N3O4 479.536000 |
KQQAQIJJXTVYGQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50248227; PubChem:CID44564855
|
Local ready
Direct docking supported
|
|
E3L049758
BDB049758
|
BDBM50248228
Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
|
C19H11ClN4S2 394.912000 |
LRLIJRSPYLLOIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248228; PubChem:CID44564860
|
Local ready
Direct docking supported
|
|
E3L049759
BDB049759
|
BDBM50248229
Fc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2ccsc12
|
C19H11FN4S2 378.457000 |
RSIMWZIJZCXPJV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248229; PubChem:CID44564861
|
Local ready
Direct docking supported
|
|
E3L049760
BDB049760
|
BDBM50248230
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)ccnc2c1
|
C22H14ClN3S 387.895000 |
IFTCXKUSJMWVRD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50248230; PubChem:CID44564862
|
Local ready
Direct docking supported
|