| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045541
BDB045541
|
BDBM50085583
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccc1
|
C20H20N2O4S 384.457000 |
JCCCYXBQDALCFY-HYARGMPZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085583; PubChem:CID91931266
|
Local ready
Direct docking supported
|
|
E3L045542
BDB045542
|
BDBM50085584
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)nc1
|
C25H23N3O4S 461.543000 |
XEBFGNFKQXTJPF-OGLMXYFKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085584; PubChem:CID91931267
|
Local ready
Direct docking supported
|
|
E3L045543
BDB045543
|
BDBM50085585
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccncc1
|
C19H19N3O4S 385.445000 |
BURJNFSXLACPDU-LPYMAVHISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085585; PubChem:CID91931268
|
Local ready
Direct docking supported
|
|
E3L045544
BDB045544
|
BDBM50085586
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cn1
|
C25H23N3O4S 461.543000 |
WMRKIBZIDFWHLF-OGLMXYFKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085586; PubChem:CID91931269
|
Local ready
Direct docking supported
|
|
E3L045545
BDB045545
|
BDBM50085587
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1
|
C26H24N2O4S 460.555000 |
NEAYCBZMRZEYSZ-MTDXEUNCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085587; PubChem:CID91931270
|
Local ready
Direct docking supported
|
|
E3L045546
BDB045546
|
BDBM50085588
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cccnc1
|
C19H19N3O4S 385.445000 |
KWXVIFZQEZECGR-LPYMAVHISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085588; PubChem:CID91931271
|
Local ready
Direct docking supported
|
|
E3L045547
BDB045547
|
BDBM50085589
O=c1[nH]c(O)c(Cc2ccc(OCCO/N=C/c3ccc(-c4ccccc4)cc3)cc2)s1
|
C25H22N2O4S 446.528000 |
LIMZNSBJVOABTB-YZSQISJMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085589; PubChem:CID91931272
|
Local ready
Direct docking supported
|
|
E3L045548
BDB045548
|
BDBM50085590
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
|
C19H19N3O4S 385.445000 |
MWWWEDFZGCXGFP-LPYMAVHISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085590; PubChem:CID91931273
|
Local ready
Direct docking supported
|
|
E3L045549
BDB045549
|
BDBM50086441
CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21
|
C30H31F3N8O 576.627000 |
BNRXMSGHPVYSDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50086441; PubChem:CID118737057
|
Local ready
Direct docking supported
|
|
E3L045550
BDB045550
|
Ryuvidine
Cc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1
|
C15H12N2O2S 284.340000 |
HFPLHASLIOXVGS-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50086655; PubChem:CID481747
|
Local ready
Direct docking supported
|
|
E3L045551
BDB045551
|
Cytarabine
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
|
C9H13N3O5 243.219000 |
UHDGCWIWMRVCDJ-CCXZUQQUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50087289; PubChem:CID6253
|
Local ready
Direct docking supported
|
|
E3L045552
BDB045552
|
BDBM50087427
COc1ccc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc1O
|
C19H15NO5 337.331000 |
FSLDLBJGAMZARH-QHHAFSJGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50087427; PubChem:CID6475560
|
Local ready
Direct docking supported
|
|
E3L045553
BDB045553
|
Deferasirox
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1
|
C21H15N3O4 373.368000 |
BOFQWVMAQOTZIW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50088376; PubChem:CID214348
|
Local ready
Direct docking supported
|
|
E3L045554
BDB045554
|
Everolimus
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C53H83NO14 958.240000 |
HKVAMNSJSFKALM-GKUWKFKPSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50088378; PubChem:CID6442177
|
Local ready
Direct docking supported
|
|
E3L045555
BDB045555
|
BDBM50088494
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2
|
C24H27NO5S 441.549000 |
GXPHKUHSUJUWKP-NTKDMRAZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50088494; PubChem:CID9824580
|
Local ready
Direct docking supported
|
|
E3L045556
BDB045556
|
Uridine
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
|
C9H12N2O6 244.203000 |
DRTQHJPVMGBUCF-XVFCMESISA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50088517; PubChem:CID6029
|
Local ready
Direct docking supported
|
|
E3L045557
BDB045557
|
BDBM50089221
CCNC(=O)NCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C15H23N7O4S 397.461000 |
CACMCLIHCDTJHL-IDTAVKCVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50089221; PubChem:CID122178085
|
Local ready
Direct docking supported
|
|
E3L045558
BDB045558
|
BDBM50089862
COc1ccc2c(c1)C(CC(=O)N[C@@H](CNC(=O)c1ccccc1N1CCC(=O)NC1=O)C(N)=O)CC2=O
|
C26H27N5O7 521.530000 |
YFRJWFALOKTWJY-PKDNWHCCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50089862; PubChem:CID122177963
|
Local ready
Direct docking supported
|
|
E3L045559
BDB045559
|
BDBM50089863
COc1ccc2c(c1)C(CC(=O)NCCNC(=O)c1ccccc1N1CCC(=O)NC1=O)CC2=O
|
C25H26N4O6 478.505000 |
KRLQJSZEXYIYPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50089863; PubChem:CID122177964
|
Local ready
Direct docking supported
|
|
E3L045560
BDB045560
|
BDBM50089864
COc1ccc2c(c1)C(CC(=O)N1CCN(C(=O)c3ccccc3N3CCC(=O)NC3=O)CC1)CC2=O
|
C27H28N4O6 504.543000 |
VRIIEPKACOZIMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50089864; PubChem:CID122177965
|
Local ready
Direct docking supported
|