| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052681
BDB052681
|
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
COc1ccccc1C(=O)n1nnc2ccccc21
|
C14H11N3O2 253.261000 |
NZWRTQOXOOHDTB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50326570; PubChem:CID898930
|
Local ready
Direct docking supported
|
|
E3L052682
BDB052682
|
BDBM50326997
O=c1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)c(O)cc1-2
|
C15H10O7 302.238000 |
ZSNRRIMMZSGWJW-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50326997
|
Local ready
Direct docking supported
|
|
E3L052683
BDB052683
|
BDBM50327046
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c21
|
C21H15F4N5O2 445.376000 |
TWOLOZGQZKJZKJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327046; PubChem:CID15949613
|
Local ready
Direct docking supported
|
|
E3L052684
BDB052684
|
BDBM50327101
CCCCOc1ccc(-c2cncc(C(=O)O)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F
|
C25H22F4N2O4 490.453000 |
QWBFMZFPZCWMRU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50327101; PubChem:CID52941520
|
Local ready
Direct docking supported
|
|
E3L052685
BDB052685
|
BDBM50327103
CCCCOc1ccc(-c2c(C)ncc(C(=O)O)c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F
|
C27H26F4N2O4 518.507000 |
UNUJRJCEJXKUFP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50327103; PubChem:CID52948223
|
Local ready
Direct docking supported
|
|
E3L052686
BDB052686
|
BDBM50327206
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O
|
C60H90N12O17 1251.447000 |
MTXGYKHKHYPQCZ-YVIBZCAZSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50327206; PubChem:CID10124724
|
Local ready
Direct docking supported
|
|
E3L052687
BDB052687
|
BDBM50327207
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
|
C36H50N8O5 674.847000 |
AWEYPBPXBQAOLG-DTXPUJKBSA-N | O15151 | Protein Mdm4 |
BindingDB
BindingDB:BDBM50327207
|
Local ready
Direct docking supported
|
|
E3L052688
BDB052688
|
BDBM50327208
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
|
C42H61N9O6 788.007000 |
HRJBSSCGNCFNQV-BBACVFHCSA-N | O15151 | Protein Mdm4 |
BindingDB
BindingDB:BDBM50327208
|
Local ready
Direct docking supported
|
|
E3L052689
BDB052689
|
Boc-Arg-Trp-Phe-NHBn
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
|
C38H48N8O5 696.853000 |
XJZMBVBZYACDLE-CPCREDONSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50327209; PubChem:CID52949945
|
Local ready
Direct docking supported
|
|
E3L052690
BDB052690
|
BDBM50327210
CC(C)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C
|
C35H50N8O5 662.836000 |
OMWNCQNNAADJSE-AWCRTANDSA-N | O15151 | Protein Mdm4 |
BindingDB
BindingDB:BDBM50327210
|
Local ready
Direct docking supported
|
|
E3L052691
BDB052691
|
Boc-Arg-Trp-Phe-NHtBu
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OC(C)(C)C
|
C35H50N8O5 662.836000 |
TXQBFPUIWKSVSF-KCHLEUMXSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50327211; PubChem:CID52943867
|
Local ready
Direct docking supported
|
|
E3L052692
BDB052692
|
Cbz-Arg-Trp-Phe-NHtBu
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1
|
C38H48N8O5 696.853000 |
FZGFXRIDZGYWIK-CPCREDONSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50327212; PubChem:CID52945081
|
Local ready
Direct docking supported
|
|
E3L052693
BDB052693
|
BDBM50327213
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
|
C41H52N6O8 756.901000 |
KZMCRTIVNHRBGO-QIALKJQZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50327213; PubChem:CID52943865
|
Local ready
Direct docking supported
|
|
E3L052694
BDB052694
|
BDBM50327280
Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(-c4ccccc4Cl)cc3)cc2)c(Cl)c1
|
C30H28Cl3NO2 540.918000 |
KQSHVFKMFCTXDI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327280; PubChem:CID25191619
|
Local ready
Direct docking supported
|
|
E3L052695
BDB052695
|
BDBM50327281
COc1cc(-c2ccccc2Cl)ccc1C(CN)Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1
|
C31H30Cl3NO3 570.944000 |
RIINYUGVNAMTRL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327281; PubChem:CID25191743
|
Local ready
Direct docking supported
|
|
E3L052696
BDB052696
|
BDBM50327282
Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(-c4ccccc4Cl)cc3F)cc2)c(Cl)c1
|
C30H27Cl3FNO2 558.908000 |
ZUNPKGJBZFDEPB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327282; PubChem:CID25191742
|
Local ready
Direct docking supported
|
|
E3L052697
BDB052697
|
BDBM50327283
Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(-c4ccccc4Cl)cc3C)cc2)c(Cl)c1
|
C31H30Cl3NO2 554.945000 |
KWDBESFIGVTMJF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327283; PubChem:CID25191496
|
Local ready
Direct docking supported
|
|
E3L052698
BDB052698
|
BDBM50327284
Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(-c4ccccc4Cl)cc3Cl)cc2)c(Cl)c1
|
C30H27Cl4NO2 575.363000 |
POUSUTIZRYXQHT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327284; PubChem:CID25191745
|
Local ready
Direct docking supported
|
|
E3L052699
BDB052699
|
BDBM50327285
COCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1
|
C34H37Cl2NO3 578.580000 |
YKXBGFUGODNNQZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327285; PubChem:CID25191615
|
Local ready
Direct docking supported
|
|
E3L052700
BDB052700
|
BDBM50327286
COCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1
|
C35H39Cl2NO3 592.607000 |
FYTLUEKLGKTLOF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50327286; PubChem:CID25191616
|
Local ready
Direct docking supported
|