| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054501
BDB054501
|
Pluviatilol
COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1O
|
C20H20O6 356.374000 |
VBIRCRCPHNUJAS-FQZPYLGXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50379793; PubChem:CID70695727
|
Local ready
Direct docking supported
|
|
E3L054502
BDB054502
|
Epipinoresinol
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O
|
C20H22O6 358.390000 |
HGXBRUKMWQGOIE-WZBLMQSHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50379794; PubChem:CID637584
|
Local ready
Direct docking supported
|
|
E3L054503
BDB054503
|
BDBM50379795
CC(C)(O)C1=C[C@@H](O)[C@@](C)(O)CC1
|
C10H18O3 186.251000 |
CYSRURFSGZEJNU-SCZZXKLOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50379795; PubChem:CID57404439
|
Local ready
Direct docking supported
|
|
E3L054504
BDB054504
|
(1R,2R)-1-(3,4-Dimethoxyphenyl)propane-1,2,3-triol
COc1ccc([C@@H](O)[C@H](O)CO)cc1OC
|
C11H16O5 228.244000 |
NHELEQGRSPWRNT-LDYMZIIASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50379796; PubChem:CID11042473
|
Local ready
Direct docking supported
|
|
E3L054505
BDB054505
|
8,9-Dehydropellitorine
C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
|
C14H23NO 221.344000 |
OCUXKVCDBHKIIP-QYHQRLDKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50379797; PubChem:CID14427412
|
Local ready
Direct docking supported
|
|
E3L054506
BDB054506
|
(-)-Piperitol
COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1O
|
C20H20O6 356.374000 |
VBIRCRCPHNUJAS-NSMLZSOPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50379798; PubChem:CID70695728
|
Local ready
Direct docking supported
|
|
E3L054507
BDB054507
|
BDBM50379799
CC=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
|
C16H25NO 247.382000 |
VLGRWXYRKYWRPX-NWUZEOGLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50379799; PubChem:CID70693621
|
Local ready
Direct docking supported
|
|
E3L054508
BDB054508
|
Khk-IN-1
CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12
|
C21H26N8S 422.562000 |
HFLMLZKGLUEWBU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50380246; PubChem:CID53348216
|
Local ready
Direct docking supported
|
|
E3L054509
BDB054509
|
Ac-2Nal-Ser(PO3H2)-Pro-Thr-Phe-NH2
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C36H45N6O11P 768.761000 |
AFULLKJUUGAUJI-MEHMVUQKSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380349; PubChem:CID70683301
|
Local ready
Direct docking supported
|
|
E3L054510
BDB054510
|
Ac-D-2Nal-Ser(PO3H2)-Pro-Thr-Phe-NH2
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C36H45N6O11P 768.761000 |
AFULLKJUUGAUJI-PHVSMHRLSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380350; PubChem:CID70691747
|
Local ready
Direct docking supported
|
|
E3L054511
BDB054511
|
Ac-2Nal-Ser(PO3H2)-Pro-Val-Phe-NH2
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C
|
C37H47N6O10P 766.789000 |
IQXLCSSRXNULLF-XDIGFQIYSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380351; PubChem:CID70691748
|
Local ready
Direct docking supported
|
|
E3L054512
BDB054512
|
Ac-2Nal-Ser(PO3H2)-Pro-Val-Phe-OH
CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
|
C37H46N5O11P 767.773000 |
IYFGFQHOXIFALA-XDIGFQIYSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380352; PubChem:CID70693812
|
Local ready
Direct docking supported
|
|
E3L054513
BDB054513
|
hydrocinnamoyl-Ser(PO3H2)-Pro-Val-Phe-OH
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C31H41N4O10P 660.661000 |
SSXRSILIIUFIKJ-XLXZRNDBSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380353; PubChem:CID70681223
|
Local ready
Direct docking supported
|
|
E3L054514
BDB054514
|
deamino-hPhe-Ser(PO3H2)-Pro-Val-Phe-OH
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C32H43N4O10P 674.688000 |
QYSZXJDRDHKBNR-OBXRUURASA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380354; PubChem:CID70691749
|
Local ready
Direct docking supported
|
|
E3L054515
BDB054515
|
BDBM50380355
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C33H45N4O10P 688.715000 |
SADYPEIIXGGIJS-QFVIIZQESA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380355; PubChem:CID70683302
|
Local ready
Direct docking supported
|
|
E3L054516
BDB054516
|
BDBM50380356
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C34H41N4O10P 696.694000 |
LZCXRLIESIUZOM-NUISNXNRSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50380356
|
Local ready
Direct docking supported
|
|
E3L054517
BDB054517
|
deamino-Phe(3,4-diOMe)-Ser(PO3H2)-Pro-Val-Phe-OH
COc1ccc(CCC(=O)N[C@@H](COP(=O)(O)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)C)cc1OC
|
C33H45N4O12P 720.713000 |
JNNPOWRGJTZBMI-MGQBIDJDSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380357; PubChem:CID70683304
|
Local ready
Direct docking supported
|
|
E3L054518
BDB054518
|
Bz(3-Ph)-Ser(PO3H2)-Pro-Val-Phe-OH
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C35H41N4O10P 708.705000 |
PQDJSMDUNMWELB-KRCBVYEFSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50380358; PubChem:CID70687555
|
Local ready
Direct docking supported
|
|
E3L054519
BDB054519
|
BDBM50380359
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(=O)C/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C32H41N4O10P 672.672000 |
JNGLLCKBGPPDNK-UFUBUQPPSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50380359
|
Local ready
Direct docking supported
|
|
E3L054520
BDB054520
|
BDBM50380590
COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(OC)cc3)n2)cc1
|
C20H19N5O3S 409.471000 |
LQZSHPITKSPDLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50380590; PubChem:CID16013184
|
Local ready
Direct docking supported
|