| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057201
BDB057201
|
BDBM50465486
Nc1cc(-c2ccnc(NC3CC3)n2)c[nH]c1=O
|
C12H13N5O 243.270000 |
YOYGZAIBXYDVJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465486; PubChem:CID145979750
|
Local ready
Direct docking supported
|
|
E3L057202
BDB057202
|
3-amino-5-phenyl-1H-pyridin-2-one
Nc1cc(-c2ccccc2)cnc1O
|
C11H10N2O 186.214000 |
JSSSQWQWNRHJCZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465487; PubChem:CID25181368
|
Local ready
Direct docking supported
|
|
E3L057203
BDB057203
|
3-amino-5-pyrimidin-5-yl-1H-pyridin-2-one
Nc1cc(-c2cncnc2)c[nH]c1=O
|
C9H8N4O 188.190000 |
VJSLJXHTFBDLGG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465488; PubChem:CID145993958
|
Local ready
Direct docking supported
|
|
E3L057204
BDB057204
|
5-Amino-[3,3'-bipyridin]-6(1H)-one
Nc1cc(-c2cccnc2)c[nH]c1=O
|
C10H9N3O 187.202000 |
LHWAVCJDVQZDFB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465489; PubChem:CID119131
|
Local ready
Direct docking supported
|
|
E3L057205
BDB057205
|
BDBM50465490
CN(C)Cc1ccc(-c2c[nH]c(=O)c(N)c2)cc1
|
C14H17N3O 243.310000 |
JGAZGCRIIOXDNT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465490; PubChem:CID145980334
|
Local ready
Direct docking supported
|
|
E3L057206
BDB057206
|
BDBM50465491
Cc1[nH]c(=O)c(C(N)=O)cc1-c1ccncc1
|
C12H11N3O2 229.239000 |
SWKVSFPUHCMFJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465491; PubChem:CID12799331
|
Local ready
Direct docking supported
|
|
E3L057207
BDB057207
|
BDBM50465492
COc1cc(OC)cc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1
|
C19H17N3O4 351.362000 |
MYGPNOIWNUFXSX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465492; PubChem:CID145989872
|
Local ready
Direct docking supported
|
|
E3L057208
BDB057208
|
BDBM50465493
O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(F)c1
|
C17H12FN3O2 309.300000 |
MKYJMYGYSKQKEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465493; PubChem:CID110868446
|
Local ready
Direct docking supported
|
|
E3L057209
BDB057209
|
BDBM50465494
O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cc(F)cc(F)c1
|
C17H11F2N3O2 327.290000 |
VLOYAVOIPFPJLB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465494; PubChem:CID11631251
|
Local ready
Direct docking supported
|
|
E3L057210
BDB057210
|
BDBM50465495
O=c1[nH]cc(-c2ccncc2)cc1NS(=O)(=O)c1ccccc1
|
C16H13N3O3S 327.365000 |
IYFYJKQMPGEKRZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50465495; PubChem:CID58692572
|
Local ready
Direct docking supported
|
|
E3L057211
BDB057211
|
BDBM50465526
COc1cc(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12
|
C32H33F3N4O5S 642.700000 |
BCMLBMIEKQMGLP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465526; PubChem:CID145994218
|
Local ready
Direct docking supported
|
|
E3L057212
BDB057212
|
BDBM50465527
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12
|
C32H36N4O5S 588.730000 |
OVHFPPKAUNIZRJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465527; PubChem:CID145992748
|
Local ready
Direct docking supported
|
|
E3L057213
BDB057213
|
BDBM50465528
COc1cc(C(=O)NS(=O)(=O)c2cccc(Cl)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12
|
C31H33ClN4O5S 609.148000 |
NUUXRXDZKMLTMN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465528; PubChem:CID145987347
|
Local ready
Direct docking supported
|
|
E3L057214
BDB057214
|
BDBM50465529
COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12
|
C31H34N4O5S 574.703000 |
DSUJZPQYEUITAA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465529; PubChem:CID145981186
|
Local ready
Direct docking supported
|
|
E3L057215
BDB057215
|
BDBM50465530
COc1cc(C(=O)NS(=O)(=O)c2cccc(F)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12
|
C31H33FN4O5S 592.693000 |
GFXMMBLNWKLBAM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465530; PubChem:CID145987301
|
Local ready
Direct docking supported
|
|
E3L057216
BDB057216
|
BDBM50465531
COc1cc(C(=O)NS(=O)(=O)c2cccc(Cl)c2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
|
C30H30ClN3O6S 596.105000 |
ZYDVUURTRBWPIW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465531; PubChem:CID145979664
|
Local ready
Direct docking supported
|
|
E3L057217
BDB057217
|
BDBM50465532
COc1cc(C(=O)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12
|
C31H32Cl2N4O5S 643.593000 |
UAZVAVXMYLMNGU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50465532; PubChem:CID145992231
|
Local ready
Direct docking supported
|
|
E3L057218
BDB057218
|
BDBM50465552
COc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(OC)c1C
|
C25H27N3O3 417.509000 |
GRFBFSARRYJWSN-HXUWFJFHSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50465552; PubChem:CID138470423
|
Local ready
Direct docking supported
|
|
E3L057219
BDB057219
|
BDBM50465553
CC(=O)Nc1ccc(-c2cn3c(n2)CCC3)cc1
|
C14H15N3O 241.294000 |
MQCINXVRFIDBMO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50465553; PubChem:CID145992826
|
Local ready
Direct docking supported
|
|
E3L057220
BDB057220
|
BDBM50465554
COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)CC2CC2)c1
|
C28H33N3O3 459.590000 |
STTMASRUYCPJKT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50465554; PubChem:CID134369637
|
Local ready
Direct docking supported
|