| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044941
BDB044941
|
BDBM50050554
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CC(C)(C)CC(C)(C)C2)cc1
|
C36H46N2O4 570.774000 |
CTTGJGHAKDHCCV-GDLZYMKVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050554; PubChem:CID118708440
|
Local ready
Direct docking supported
|
|
E3L044942
BDB044942
|
BDBM50050555
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCCCCC2)cc1
|
C35H44N2O4 556.747000 |
LEXLSPDBTSINAM-SSEXGKCCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050555; PubChem:CID118708437
|
Local ready
Direct docking supported
|
|
E3L044943
BDB044943
|
BDBM50050556
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCCCC2)cc1
|
C34H42N2O4 542.720000 |
NLXAFEDDAOLUIF-GDLZYMKVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050556; PubChem:CID102313443
|
Local ready
Direct docking supported
|
|
E3L044944
BDB044944
|
BDBM50050557
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCC2)cc1
|
C32H38N2O4 514.666000 |
ISYAJDFASPMBOB-HHHXNRCGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050557; PubChem:CID56929502
|
Local ready
Direct docking supported
|
|
E3L044945
BDB044945
|
BDBM50050558
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCC(C)(C)CC2)cc1
|
C34H42N2O4 542.720000 |
UBUMMWDGHYPBOH-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050558; PubChem:CID118708439
|
Local ready
Direct docking supported
|
|
E3L044946
BDB044946
|
BDBM50050559
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCC(C)(C)C2)cc1
|
C34H42N2O4 542.720000 |
APPIJDBGUOOXLM-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050559; PubChem:CID118708438
|
Local ready
Direct docking supported
|
|
E3L044947
BDB044947
|
BDBM50050560
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCCC2)cc1
|
C33H40N2O4 528.693000 |
MYAQZDUYOUGKCB-MUUNZHRXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050560; PubChem:CID102313441
|
Local ready
Direct docking supported
|
|
E3L044948
BDB044948
|
BDBM50050894
O=C(O)CSc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1
|
C18H15ClN4O2S 386.864000 |
YENRXHUCHIMRDZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50050894; PubChem:CID118708577
|
Local ready
Direct docking supported
|
|
E3L044949
BDB044949
|
BDBM50050895
CCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(=O)O
|
C22H23ClN4O2S 442.972000 |
ILFCCNWAYAKTGG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50050895; PubChem:CID118708578
|
Local ready
Direct docking supported
|
|
E3L044950
BDB044950
|
BDBM50050896
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(=O)O
|
C24H27ClN4O2S 471.026000 |
UPRVFMBNCGRTAR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050896; PubChem:CID118708579
|
Local ready
Direct docking supported
|
|
E3L044951
BDB044951
|
BDBM50050897
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(C(=O)c3ccc(N)cc3)cc2)n1)C(=O)O
|
C25H27ClN4O3S 499.036000 |
ILCZJJNFQICUSE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050897; PubChem:CID118708580
|
Local ready
Direct docking supported
|
|
E3L044952
BDB044952
|
BDBM50050898
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)C(=O)O
|
C24H26ClN3O3S 472.010000 |
LJNZOEDPQZEKCO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050898; PubChem:CID118708581
|
Local ready
Direct docking supported
|
|
E3L044953
BDB044953
|
BDBM50050899
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)C(=O)O
|
C25H28ClN3O2S 470.038000 |
GCOWGQRVXBEWBO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50050899; PubChem:CID118708582
|
Local ready
Direct docking supported
|
|
E3L044954
BDB044954
|
Unc0379
COc1cc2nc(N3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC
|
C23H35N5O2 413.566000 |
WEXCGGWTIDNVNT-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50051117; PubChem:CID78357767
|
Local ready
Direct docking supported
|
|
E3L044955
BDB044955
|
BDBM50051941
COc1ccc(NC(=O)CC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C(=O)O)c2C)cc1
|
C26H24N4O6 488.500000 |
LFKPJUFFMOTFRX-ODLFYWEKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50051941; PubChem:CID118710236
|
Local ready
Direct docking supported
|
|
E3L044956
BDB044956
|
BDBM50051942
O=C(CC(=O)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1)Nc1ccc(F)cc1
|
C22H17FN4O3 404.401000 |
LILXUVCZUBSSFA-ZDLGFXPLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50051942; PubChem:CID71815105
|
Local ready
Direct docking supported
|
|
E3L044957
BDB044957
|
BDBM50052428
O=C1CCC(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)N1
|
C13H6F4N2O4 330.193000 |
PIJMHCCGPUSELZ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50052428; PubChem:CID467265
|
Local ready
Direct docking supported
|
|
E3L044958
BDB044958
|
BDBM50053040
CC(C)NS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H34Cl2N2O5S 581.562000 |
OLQSAQIIKIWIRZ-YWCVFVGNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50053040; PubChem:CID68000097
|
Local ready
Direct docking supported
|
|
E3L044959
BDB044959
|
BDBM50053041
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NCC2CCC2)C2CC2)C1=O
|
C30H36Cl2N2O5S 607.600000 |
NOJSWEHJYONNRA-QXMDYEBFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50053041; PubChem:CID118709121
|
Local ready
Direct docking supported
|
|
E3L044960
BDB044960
|
BDBM50053042
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NCC2CC2)C2CC2)C1=O
|
C29H34Cl2N2O5S 593.573000 |
HYAVQGODBWRNSC-GCMXZSHTSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50053042; PubChem:CID118709120
|
Local ready
Direct docking supported
|