| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058741
BDB058741
|
BDBM50515648
CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
|
C30H28Cl3N3O5 616.929000 |
HIWJCCRUFKOHBM-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50515648; PubChem:CID155547556
|
Local ready
Direct docking supported
|
|
E3L058742
BDB058742
|
BDBM50515710
C=CCSc1nnc(-c2cc3ccccc3n2CC=C)n1-c1ccccc1
|
C22H20N4S 372.497000 |
AHQWGNLPDNWNFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50515710; PubChem:CID155538037
|
Local ready
Direct docking supported
|
|
E3L058743
BDB058743
|
BDBM50515711
CC(=O)OC[C@H]1O[C@@H](Sc2nnc(-c3cc4ccccc4[nH]3)n2-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
|
C30H30N4O9S 622.656000 |
QCGVJZXTRBZHDC-QLZLUGFASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50515711; PubChem:CID155518525
|
Local ready
Direct docking supported
|
|
E3L058744
BDB058744
|
BDBM50515712
CC(O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
|
C19H18N4OS 350.447000 |
BVXCJAGSMKQLOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50515712; PubChem:CID155563867
|
Local ready
Direct docking supported
|
|
E3L058745
BDB058745
|
BDBM50515713
C=CCSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
|
C19H16N4S 332.432000 |
OILGWFFTZFWBTR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50515713; PubChem:CID155513692
|
Local ready
Direct docking supported
|
|
E3L058746
BDB058746
|
BDBM50515714
S=c1[nH]nc(CSc2nnc(-c3cc4ccccc4[nH]3)n2-c2ccccc2)n1-c1ccccc1
|
C25H19N7S2 481.610000 |
WPZYVQWMJJHRGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50515714; PubChem:CID155559388
|
Local ready
Direct docking supported
|
|
E3L058747
BDB058747
|
5-(1h-Indol-2-yl)-4-phenyl-4h-[1,2,4]triazole-3-thiol
S=c1[nH]nc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
|
C16H12N4S 292.367000 |
XKHXUWHQZMDVCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50515715; PubChem:CID2393489
|
Local ready
Direct docking supported
|
|
E3L058748
BDB058748
|
BDBM50516025
CC(F)(F)CN1C(=O)[C@]2(C)COCCN2c2nc(-c3ccc(NC(=O)NC4CC4)cc3)ncc21
|
C23H26F2N6O3 472.496000 |
TVISMJDQTRLBBY-QFIPXVFZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50516025
|
Local ready
Direct docking supported
|
|
E3L058749
BDB058749
|
BDBM50516030
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)O)cc12
|
C25H21NO4 399.446000 |
ZUVKVOQUSMLYQL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516030; PubChem:CID155557717
|
Local ready
Direct docking supported
|
|
E3L058750
BDB058750
|
BDBM50516031
Cc1c(C)n(Cc2cccc(C(F)(F)F)c2)c2ccc(C(=O)NCc3ccccn3)cc12
|
C25H22F3N3O 437.465000 |
UHXPWBLZBYOPFU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516031; PubChem:CID155538955
|
Local ready
Direct docking supported
|
|
E3L058751
BDB058751
|
BDBM50516032
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCCc3ccc(O)cc3)cc12
|
C33H30N2O4 518.613000 |
ISSAIUVNVQGNCG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516032; PubChem:CID155513886
|
Local ready
Direct docking supported
|
|
E3L058752
BDB058752
|
BDBM50516033
Cc1c(C)n(Cc2cccc(C(F)(F)F)c2)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)cc12
|
C28H25F3N2O4 510.512000 |
IHOIBWGLUSSODJ-DEOSSOPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516033; PubChem:CID155533929
|
Local ready
Direct docking supported
|
|
E3L058753
BDB058753
|
BDBM50516034
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccccn3)cc12
|
C31H27N3O3 489.575000 |
SABWVCVUBAMCIM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516034; PubChem:CID155560639
|
Local ready
Direct docking supported
|
|
E3L058754
BDB058754
|
BDBM50516035
COc1cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)ccc1O
|
C33H30N2O5 534.612000 |
NLEKZNINUFKMSL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516035; PubChem:CID155510840
|
Local ready
Direct docking supported
|
|
E3L058755
BDB058755
|
BDBM50516036
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCNCC3)cc12
|
C30H31N3O3 481.596000 |
XFDQGCXJHLEZSZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516036; PubChem:CID54579786
|
Local ready
Direct docking supported
|
|
E3L058756
BDB058756
|
BDBM50516037
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccc(OCC(=O)O)c3)cc12
|
C34H30N2O6 562.622000 |
PAYWDUGQKGTLOV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516037; PubChem:CID155516784
|
Local ready
Direct docking supported
|
|
E3L058757
BDB058757
|
BDBM50516038
COc1cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C(F)(F)F)c2)ccc1O
|
C27H25F3N2O3 482.502000 |
SZYWZYLVBMZVEI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516038; PubChem:CID155557561
|
Local ready
Direct docking supported
|
|
E3L058758
BDB058758
|
BDBM50516039
O=C(NCc1cccc(O)c1)c1ccc(NCc2ccc(-c3ccccc3C(=O)O)cc2)cc1
|
C28H24N2O4 452.510000 |
KZSSTRPIVNWQIV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516039; PubChem:CID155557021
|
Local ready
Direct docking supported
|
|
E3L058759
BDB058759
|
BDBM50516040
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3cccnc3)cc12
|
C31H27N3O3 489.575000 |
LUWUEWQACOIVOR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516040; PubChem:CID122179686
|
Local ready
Direct docking supported
|
|
E3L058760
BDB058760
|
BDBM50516041
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCC3CCNCC3)cc12
|
C31H33N3O3 495.623000 |
USDCVHDNYCJAHJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50516041; PubChem:CID155569070
|
Local ready
Direct docking supported
|