| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048281
BDB048281
|
BDBM50198152
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccncc3)S2)cc1
|
C17H15N3OS 309.394000 |
AJGMYXRNCCOOGW-PTNGSMBKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198152; PubChem:CID135834866
|
Local ready
Direct docking supported
|
|
E3L048282
BDB048282
|
BDBM50198153
CCc1ccc(/N=C2\SC(Cc3ccnc(N)c3)C(=O)N2C)cc1
|
C18H20N4OS 340.452000 |
JEGMTPLIFSTUJN-UZYVYHOESA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198153
|
Local ready
Direct docking supported
|
|
E3L048283
BDB048283
|
5-Hydroxy-1'h-1,2'-Bibenzimidazol-2(3h)-One
O=c1[nH]c2cc(O)ccc2n1-c1nc2ccccc2[nH]1
|
C14H10N4O2 266.260000 |
YOEAQWYCBDUGQE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198154; PubChem:CID121231440
|
Local ready
Direct docking supported
|
|
E3L048284
BDB048284
|
3-(6-bromo-1H-benzimidazol-2-yl)-1H-benzimidazol-2-one
O=c1[nH]c2ccccc2n1-c1nc2cc(Br)ccc2[nH]1
|
C14H9BrN4O 329.157000 |
DEJJUUUAHOOLER-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198155; PubChem:CID134135366
|
Local ready
Direct docking supported
|
|
E3L048285
BDB048285
|
3-(1H-benzimidazol-2-yl)-5-chloro-1H-benzimidazol-2-one
O=c1[nH]c2ccc(Cl)cc2n1-c1nc2ccccc2[nH]1
|
C14H9ClN4O 284.706000 |
CZBYREUJVSNUMA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198156; PubChem:CID134138067
|
Local ready
Direct docking supported
|
|
E3L048286
BDB048286
|
BDBM50198157
O=C(O)c1ccc2c(c1)[nH]c(=O)n2-c1nc2ccccc2[nH]1
|
C15H10N4O3 294.270000 |
GNEZHCDBBOXVHE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198157; PubChem:CID134153764
|
Local ready
Direct docking supported
|
|
E3L048287
BDB048287
|
BDBM50198158
CCc1ccc(/N=C2/SC3(CC3c3ccnc(N)c3)C(=O)N2C)cc1
|
C19H20N4OS 352.463000 |
YGRNWIZRVOUDSG-RELWKKBWSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198158
|
Local ready
Direct docking supported
|
|
E3L048288
BDB048288
|
BDBM50198159
CCCc1ccc(/N=C2\S/C(=C\c3ccncc3)C(=O)N2C)cc1
|
C19H19N3OS 337.448000 |
AIVZOPZVIDGDFB-MIZVFFBBSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198159
|
Local ready
Direct docking supported
|
|
E3L048289
BDB048289
|
BDBM50198160
CCc1ccccc1/N=C1\S/C(=C\c2ccncc2)C(=O)N1C
|
C18H17N3OS 323.421000 |
PJOKGQUCCQYHEQ-SOBIRXOSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198160
|
Local ready
Direct docking supported
|
|
E3L048290
BDB048290
|
BDBM50198161
CCc1ccc(/N=C2\SC3(CC3c3ccnc(N)c3)C(=O)N2C)cc1
|
C19H20N4OS 352.463000 |
YGRNWIZRVOUDSG-PYCFMQQDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198161
|
Local ready
Direct docking supported
|
|
E3L048291
BDB048291
|
BDBM50198162
CC(C)c1ccc(/N=C2\S/C(=C\c3ccncc3)C(=O)N2C)cc1
|
C19H19N3OS 337.448000 |
GHXWLLGOUIAPRQ-WJCPARMISA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50198162
|
Local ready
Direct docking supported
|
|
E3L048292
BDB048292
|
BDBM50198163
O=c1[nH]c2c(O)cccc2n1-c1nc2ccccc2[nH]1
|
C14H10N4O2 266.260000 |
ALYWIQTUVFACNP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198163; PubChem:CID134149816
|
Local ready
Direct docking supported
|
|
E3L048293
BDB048293
|
BDBM50198311
CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccc(Br)cc1
|
C30H32BrClN4O2 595.969000 |
PZVLDHUUSWUATQ-HHHXNRCGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50198311; PubChem:CID44445386
|
Local ready
Direct docking supported
|
|
E3L048294
BDB048294
|
BDBM50198329
CC(=O)NC(C)c1nc(-c2ccc(Oc3ccccc3)cc2)no1
|
C18H17N3O3 323.352000 |
IKFQWYHFKWRMOO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50198329; PubChem:CID122370046
|
Local ready
Direct docking supported
|
|
E3L048295
BDB048295
|
BDBM50198330
CC(=O)NC(C)c1nc(-c2ccc(Oc3ccc(O)cc3)cc2)no1
|
C18H17N3O4 339.351000 |
BTIABTJBEVJWKV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50198330; PubChem:CID134154728
|
Local ready
Direct docking supported
|
|
E3L048296
BDB048296
|
BDBM50198331
COc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1
|
C19H19N3O4 353.378000 |
STVSMWGEXFHZBE-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50198331; PubChem:CID132578432
|
Local ready
Direct docking supported
|
|
E3L048297
BDB048297
|
BDBM50198333
CCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1
|
C20H21N3O4 367.405000 |
YSFYOQBZOGUUIX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50198333; PubChem:CID134139597
|
Local ready
Direct docking supported
|
|
E3L048298
BDB048298
|
BDBM50198337
CC(=O)N[C@@H](C)c1nc(-c2ccc(Oc3ccccc3)cc2)no1
|
C18H17N3O3 323.352000 |
IKFQWYHFKWRMOO-LBPRGKRZSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50198337; PubChem:CID132578434
|
Local ready
Direct docking supported
|
|
E3L048299
BDB048299
|
BDBM50198751
CCC(=O)N1CCOc2c(cc(-c3cc(OC)cc(OC)c3)cc2C(=O)N[C@H]2CCCN(C)C2)C1
|
C27H35N3O5 481.593000 |
CUJLWYCUPPPASA-NRFANRHFSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50198751; PubChem:CID122172830
|
Local ready
Direct docking supported
|
|
E3L048300
BDB048300
|
BDBM50199771
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2nccs2)c1
|
C25H29NO4S 439.577000 |
YKCDMDXQGXHXPW-GOSISDBHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50199771; PubChem:CID44439631
|
Local ready
Direct docking supported
|