| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048081
BDB048081
|
BDBM50194475
CCN(CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC)C(C)C
|
C44H68N6O8 809.062000 |
WKPAARGLUVBIGB-OKCLBPDBSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194475
|
Local ready
Direct docking supported
|
|
E3L048082
BDB048082
|
Bz(4-tBu)-Phe-Ala-Leu-Lys(Et2)-Ser-NMe2
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)N(C)C
|
C44H69N7O7 808.078000 |
QEMFCTCDHJQLGF-OKCLBPDBSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194476; PubChem:CID134146508
|
Local ready
Direct docking supported
|
|
E3L048083
BDB048083
|
BDBM50194477
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C49H77N7O10 924.194000 |
VLYHVKRJXDXUFJ-JYICSXSCSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194477
|
Local ready
Direct docking supported
|
|
E3L048084
BDB048084
|
Bz-Gly-Phe-Ala-Leu-Lys(cPent)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C42H61N7O9 807.990000 |
MMWLBTJJFYOMCF-HCJIVJCNSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194478; PubChem:CID134131637
|
Local ready
Direct docking supported
|
|
E3L048085
BDB048085
|
BDBM50194624
CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Cc2ccccc2)c1
|
C29H34O4 446.587000 |
QRUJOOQWHBDHME-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194624; PubChem:CID11316788
|
Local ready
Direct docking supported
|
|
E3L048086
BDB048086
|
BDBM50194625
Cc1cc(OCC[C@@H](C)Oc2ccc(OC(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)O
|
C27H27F3O6 504.501000 |
CQHWVRVOKKOIJC-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194625; PubChem:CID16085981
|
Local ready
Direct docking supported
|
|
E3L048087
BDB048087
|
BDBM50194626
CCc1ccc(OCCCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1
|
C28H30O6 462.542000 |
AFQIAKAIRKBLKC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194626; PubChem:CID16085983
|
Local ready
Direct docking supported
|
|
E3L048088
BDB048088
|
BDBM50194627
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1
|
C29H32O5 460.570000 |
ONHBOWNRMGRYNP-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194627; PubChem:CID11431103
|
Local ready
Direct docking supported
|
|
E3L048089
BDB048089
|
BDBM50194628
Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)O
|
C27H27F3O5 488.502000 |
CDXOSGNAXOTFBO-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194628; PubChem:CID16085986
|
Local ready
Direct docking supported
|
|
E3L048090
BDB048090
|
BDBM50194629
CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(=O)O)cc2)c(C(=O)c2ccccc2)c1
|
C29H32O6 476.569000 |
ILHLGCBMPLPUEJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194629; PubChem:CID11340513
|
Local ready
Direct docking supported
|
|
E3L048091
BDB048091
|
BDBM50194630
CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)O
|
C27H29ClO5 468.977000 |
CIPGEDLLCCHFDI-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194630; PubChem:CID16085988
|
Local ready
Direct docking supported
|
|
E3L048092
BDB048092
|
BDBM50194631
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Oc2ccccc2)c1
|
C28H32O5 448.559000 |
VWGFBGMULZAECR-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194631; PubChem:CID16085980
|
Local ready
Direct docking supported
|
|
E3L048093
BDB048093
|
BDBM50194632
CCCC(CCOc1ccc(CCC(=O)O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
|
C31H36O5 488.624000 |
YLVMSBDGHFKFGT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194632; PubChem:CID11329280
|
Local ready
Direct docking supported
|
|
E3L048094
BDB048094
|
BDBM50194633
C[C@H](CCOc1ccc(CCC(=O)O)c(C(F)(F)F)c1)Oc1ccc(Cl)cc1Oc1ccccc1
|
C26H24ClF3O5 508.920000 |
HIOGFQCBUGMDNX-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194633; PubChem:CID16085982
|
Local ready
Direct docking supported
|
|
E3L048095
BDB048095
|
BDBM50194634
CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1
|
C29H32O5 460.570000 |
ONHBOWNRMGRYNP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194634; PubChem:CID11305717
|
Local ready
Direct docking supported
|
|
E3L048096
BDB048096
|
BDBM50194635
Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)O
|
C26H27ClO5 454.950000 |
ZARBOTMPCCXOHE-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194635; PubChem:CID16085985
|
Local ready
Direct docking supported
|
|
E3L048097
BDB048097
|
BDBM50194636
CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1
|
C29H32O5 460.570000 |
ONHBOWNRMGRYNP-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194636; PubChem:CID16085979
|
Local ready
Direct docking supported
|
|
E3L048098
BDB048098
|
BDBM50194637
C[C@H](CCOc1ccc(CCC(=O)O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1
|
C25H24ClFO5 458.913000 |
WXCQOBJBCVSXBR-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50194637; PubChem:CID16085987
|
Local ready
Direct docking supported
|
|
E3L048099
BDB048099
|
BDBM50194638
CCc1ccc(OC(CC)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1
|
C30H34O5 474.597000 |
KEUWMDZMXVQKJB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50194638; PubChem:CID16085984
|
Local ready
Direct docking supported
|
|
E3L048100
BDB048100
|
BDBM50194668
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
|
C29H28F3N5O2 535.570000 |
DVRSTRMZTAPMKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50194668; PubChem:CID16086114
|
Local ready
Direct docking supported
|